Geometry & MOs

Info

ID:

334477

PubChem CID:

127253152

Reduced:

N3O5C27H33 (1)

Stoich.:

A3B5C27D33 (1)

Weight, g/mol:

711.27267

ΔHf, kcal/mol:

-167.92

Dipole, Da:

4.48

IP(EA), eV:

 -8.3(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]butanamide

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1CC2=CC(=C(C=C2CN1C(=O)CCCCCN3CC4=CC=CC=C4C3=O)OC)OC

DOS

IR

Vibrations