Geometry & MOs

Info

ID:

334164

PubChem CID:

127252716

Reduced:

N3O3C21H31 (1)

Stoich.:

A3B3C21D31 (1)

Weight, g/mol:

716.342129

ΔHf, kcal/mol:

-113.07

Dipole, Da:

4.02

IP(EA), eV:

 -8.74(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[4-methoxy-3-(morpholine-4-carbonyl)phenyl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CN(C[C@@H]1CCCN2[C@@H]1CCCC2)C(=O)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations