Geometry & MOs

Info

ID:

333974

PubChem CID:

127252526

Reduced:

N3O8C35H43 (1)

Stoich.:

A3B8C35D43 (1)

Weight, g/mol:

640.326085

ΔHf, kcal/mol:

-247.8

Dipole, Da:

7.04

IP(EA), eV:

 -8.08(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[2-(1-propan-2-ylindol-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NCCC4=CC(=C(C=C4)OC)OC)OC)OC)OC

DOS

IR

Vibrations