Geometry & MOs

Info

ID:

25929

PubChem CID:

634130

Reduced:

N2O2H30C31 (1)

Stoich.:

A2B2C30D31 (1)

Weight, g/mol:

541.954276

ΔHf, kcal/mol:

-12.5

Dipole, Da:

7.86

IP(EA), eV:

 -8.48(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloroethyl 7-(methoxycarbonylamino)-5,5,8-trioxo-3-(phenylsulfanylmethyl)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=C(C=C(C=C2)C)CC3=CC=CC=C3N(C4=CC=CC=C4)C(=O)C)C(=O)C

DOS

IR

Vibrations