Geometry & MOs

Info

ID:

302500

PubChem CID:

124361974

Reduced:

N2O3C12H13 (2)

Stoich.:

A2B3C12D13 (2)

Weight, g/mol:

489.168205

ΔHf, kcal/mol:

-229.53

Dipole, Da:

12.12

IP(EA), eV:

 -9.71(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,6R)-6-[[(2S)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N[C@H](C1=CC=CC=C1)C(=O)O)NC(=O)CN2C(=O)C3=CC=CC=C3NC2=O

DOS

IR

Vibrations