Geometry & MOs

Info

ID:

176776

PubChem CID:

76097235

Reduced:

SN3O5C21H27 (1)

Stoich.:

AB3C5D21E27 (1)

Weight, g/mol:

644.266856

ΔHf, kcal/mol:

-128.64

Dipole, Da:

8.19

IP(EA), eV:

 -9.57(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-3-[(2-oxopiperidin-4-yl)-pyrrolidin-3-ylidenemethyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)C2=NC=CC(=C2)CNC(C3CCCCC3)C(=O)NO

DOS

IR

Vibrations