Geometry & MOs

Info

ID:

443595

PubChem CID:

135259428

Reduced:

SN3O8C35H43 (1)

Stoich.:

AB3C8D35E43 (1)

Weight, g/mol:

879.36657

ΔHf, kcal/mol:

-303.08

Dipole, Da:

9.89

IP(EA), eV:

 -9.0(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl)oxymethyl]-5-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[2,1-c][1,4]benzodiazepin-9-yl)oxymethyl]phenyl]-4-methyl-4-propan-2-ylsulfanylpentanamide

Drug info:

PubChemData

Smile

CCCCC1(CC2CC(CC2C1)OC(CN3C4=C(C(=C(S4)C5=NC=CO5)C)C(=O)N(C3=O)C(C)(C)C(=O)O)C6=CC=CC=C6OC)O

DOS

IR

Vibrations