Geometry & MOs

Info

ID:

422293

PubChem CID:

135117569

Reduced:

N2O3C18H24 (2)

Stoich.:

A2B3C18D24 (2)

Weight, g/mol:

780.399267

ΔHf, kcal/mol:

-166.46

Dipole, Da:

6.16

IP(EA), eV:

 -8.86(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-2,5,8,11,17-pentaoxo-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-dien-15-yl]-N-cyclohexyl-N-methyl-4-oxobutanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)N2C[C@@H]3C[C@H]2C(=O)NCCCCN(CCCNC(=O)CCC4=CC(=C(O3)C=C4)OC)C(=O)C5CCC5

DOS

IR

Vibrations