Geometry & MOs

Info

ID:	423288
PubChem CID:	135119237
Reduced:	ClO3N7C31H34 (1)
Stoich.:	AB3C7D31E34 (1)
Weight, g/mol:	695.310118
ΔH_f, kcal/mol:	37.15
Dipole, Da:	5.3
IP(EA), eV:	-8.61(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,7S,10R,16R,20S)-4-benzyl-20-hydroxy-14-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-7,8-dimethyl-10-(2-methylpropyl)-17-oxa-2,5,8,11,14-pentazabicyclo[14.3.1]icosane-3,6,9,12-tetrone

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CNC(=O)[C@@H](NC(=O)C2=CC(=C(C=C2)OCCCN3C=C(CN(C1)CC4=CN=CC=C4)N=N3)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CNC(=O)[C@@H](NC(=O)C2=CC(=C(C=C2)OCCCN3C=C(CN(C1)CC4=CN=CC=C4)N=N3)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):