Geometry & MOs

Info

ID:	177096
PubChem CID:	76135275
Reduced:	ClO5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	607.159949
ΔH_f, kcal/mol:	-257.15
Dipole, Da:	7.99
IP(EA), eV:	-9.99(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC(CC=CC1CCC(=O)C1CC=CCCC(C(=O)O)O)(CCl)O

DOS

IR

Vibrations