Geometry & MOs

Info

ID:

334954

PubChem CID:

127253760

Reduced:

N3O6H23C26 (1)

Stoich.:

A3B6C23D26 (1)

Weight, g/mol:

479.180484

ΔHf, kcal/mol:

-172.34

Dipole, Da:

8.62

IP(EA), eV:

 -9.2(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-3-benzyl-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

CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC(=O)/C(=C(/C)\NC4=CC5=C(C=C4)N=C(N5)C)/C3=O)O2)C)C(=O)C)O

DOS

IR

Vibrations