Geometry & MOs

Info

ID:

334008

PubChem CID:

127252560

Reduced:

O4N5H19C21 (1)

Stoich.:

A4B5C19D21 (1)

Weight, g/mol:

495.175398

ΔHf, kcal/mol:

-35.56

Dipole, Da:

6.28

IP(EA), eV:

 -9.48(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NOC(=N2)CNC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations