Geometry & MOs

Info

ID:	420249
PubChem CID:	135112060
Reduced:	N2O5C19H34 (1)
Stoich.:	A2B5C19D34 (1)
Weight, g/mol:	669.363868
ΔH_f, kcal/mol:	-266.78
Dipole, Da:	3.72
IP(EA), eV:	-9.64(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-17-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-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

CCOCC(=O)N1CCC2(CC1)[C@H]([C@](CCO2)(C)NC(=O)CC(C)C)O

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

CCOCC(=O)N1CCC2(CC1)[C@H]([C@](CCO2)(C)NC(=O)CC(C)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):