Geometry & MOs

Info

ID:

224182

PubChem CID:

85339244

Reduced:

N8O14C47H66 (1)

Stoich.:

A8B14C47D66 (1)

Weight, g/mol:

986.243104

ΔHf, kcal/mol:

-654.5

Dipole, Da:

7.54

IP(EA), eV:

 -8.85(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[2,12,15,25-tetramethyl-11,24-dimethylidene-3,6,10,13,16,19,23,26-octaoxo-20-(phenylmethoxycarbonylamino)-9,22,28,29-tetrathia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations