Geometry & MOs

Info

ID:

151166

PubChem CID:

53790866

Reduced:

NO2C20H20 (2)

Stoich.:

AB2C20D20 (2)

Weight, g/mol:

529.112999

ΔHf, kcal/mol:

-92.62

Dipole, Da:

5.1

IP(EA), eV:

 -8.63(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl (6S)-7-formamido-8-oxo-3-(2-pyridin-3-ylethenylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C)(C)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(=O)NC4=CC=C(C=C4)C(C)(C)C5=CC(=C(C=C5)O)C)O

DOS

IR

Vibrations