Geometry & MOs

Info

ID:

334395

PubChem CID:

127252947

Reduced:

N4O4C19H22 (1)

Stoich.:

A4B4C19D22 (1)

Weight, g/mol:

725.28832

ΔHf, kcal/mol:

-53.66

Dipole, Da:

12.71

IP(EA), eV:

 -8.79(-1.54)

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-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methylpentanamide

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@H]1C3=CC=C(C(=O)N3C2)[N+](=O)[O-])C(=O)CCCN4C=CC=C4

DOS

IR

Vibrations