Geometry & MOs

Info

ID:	43671
PubChem CID:	10321627
Reduced:	N2O5C26H32 (1)
Stoich.:	A2B5C26D32 (1)
Weight, g/mol:	452.209993
ΔH_f, kcal/mol:	-193.77
Dipole, Da:	4.11
IP(EA), eV:	-9.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,10R,18R)-19-(cyclopropylmethyl)-5-phenyl-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4,6,8,12,14,16(22)-hexaene-2,13-diol

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

CC[C@@]1([C@@H](N(C1=O)C(=O)N[C@H](C)C2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)C

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

CC[C@@]1([C@@H](N(C1=O)C(=O)N[C@H](C)C2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):