Geometry & MOs

Info

ID:

334733

PubChem CID:

127253408

Reduced:

N6O7C37H44 (1)

Stoich.:

A6B7C37D44 (1)

Weight, g/mol:

523.206698

ΔHf, kcal/mol:

-162.62

Dipole, Da:

3.54

IP(EA), eV:

 -8.66(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-[3-[(1S,9R)-5-nitro-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-3-oxopropyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)C2=NNC(=N2)COC)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations