Geometry & MOs

Info

ID:

219158

PubChem CID:

85091111

Reduced:

N2S2O7C33H40 (1)

Stoich.:

A2B2C7D33E40 (1)

Weight, g/mol:

639.07718

ΔHf, kcal/mol:

-202.41

Dipole, Da:

5.67

IP(EA), eV:

 -8.82(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 8-(bromomethyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]-2-methyl-4-(pyridine-3-carbonyloxy)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CCCCC=COC(=O)OC(=C(C)C(C(C)C(=O)CC1=CC=CC=C1)OCC2=CC=CC=C2)C(C)S(=O)(=O)NC3=NC=CS3

DOS

IR

Vibrations