Geometry & MOs

Info

ID:

176486

PubChem CID:

76058498

Reduced:

ClON7C27H30 (1)

Stoich.:

ABC7D27E30 (1)

Weight, g/mol:

600.204256

ΔHf, kcal/mol:

99.8

Dipole, Da:

7.96

IP(EA), eV:

 -8.29(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 3-[2-cyano-1-(2-oxopyrrolidin-3-ylidene)ethyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=C(C=CC=N3)C4NNNN4)C5=C(C=CC=C5Cl)C

DOS

IR

Vibrations