Geometry & MOs

Info

ID:

298866

PubChem CID:

117662007

Reduced:

N6O9C46H48 (1)

Stoich.:

A6B9C46D48 (1)

Weight, g/mol:

586.12157

ΔHf, kcal/mol:

-297.41

Dipole, Da:

4.83

IP(EA), eV:

 -8.29(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S)-2-[(2S)-2-[(8-bromo-6,11-dihydro-5H-benzo[a]carbazol-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3)OC(=C4)C5=CC=C(C=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@@H](C7=CC=CC=C7)NC(=O)O

DOS

IR

Vibrations