Geometry & MOs

Info

ID:

219322

PubChem CID:

85098746

Reduced:

N2O3C24H31 (2)

Stoich.:

A2B3C24D31 (2)

Weight, g/mol:

792.16422

ΔHf, kcal/mol:

-268.35

Dipole, Da:

10.19

IP(EA), eV:

 -8.67(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 8-(bromomethyl)-2-methyl-1-oxo-4-[3-(phenylmethoxycarbonylamino)propanoyloxy]-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1C(C(NC1=O)CO)C2=CC=C(C3=CC=CC=C23)NC(=O)CCCCCCCCCCC(=O)NC4=CC=C(C5=CC=CC=C54)C6C(NC(=O)C6C(C)C)CO

DOS

IR

Vibrations