Geometry & MOs

Info

ID:

443596

PubChem CID:

135259429

Reduced:

SN5O7C51H53 (1)

Stoich.:

AB5C7D51E53 (1)

Weight, g/mol:

877.35092

ΔHf, kcal/mol:

-117.8

Dipole, Da:

7.56

IP(EA), eV:

 -8.59(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3,5-bis[(8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl)oxymethyl]phenyl]-4-methyl-4-propan-2-ylsulfanylpentanamide

Drug info:

PubChemData

Smile

CC(C)SC(C)(C)CCC(=O)NC1=CC(=CC(=C1)COC2=C(C=C3C(=C2)N=CC4CC5=CC=CC=C5N4C3=O)OC)COC6=C(C=C7C(=C6)NCC8CC9=CC=CC=C9N8C7=O)OC

DOS

IR

Vibrations