Geometry & MOs

Info

ID:

308572

PubChem CID:

126497065

Reduced:

NSO3C12H21 (1)

Stoich.:

ABC3D12E21 (1)

Weight, g/mol:

794.342798

ΔHf, kcal/mol:

-142.38

Dipole, Da:

3.42

IP(EA), eV:

 -10.45(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[4-(2,3-dihydroindole-1-carbonyl)-2-methoxy-5-(methylamino)phenoxy]methyl]-5-[(8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl)oxymethyl]phenyl]-2-(methylamino)propanamide

Drug info:

PubChemData

Smile

CCCCC1=C(S(=O)(=O)N(C1=O)C)CCCC

DOS

IR

Vibrations