Geometry & MOs

Info

ID:

308567

PubChem CID:

126497045

Reduced:

N2O3H19C21 (2)

Stoich.:

A2B3C19D21 (2)

Weight, g/mol:

548.182648

ΔHf, kcal/mol:

-77.16

Dipole, Da:

4.42

IP(EA), eV:

 -8.22(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=CC(=C(C=C1C(=O)N2CCC3=CC=CC=C32)OC)OCC4=CC=CC(=C4)COC5=C(C=C6C(=C5)N=CC7CC8=CC=CC=C8N7C6=O)OC

DOS

IR

Vibrations