Geometry & MOs

Info

ID:	47079
PubChem CID:	10529455
Reduced:	SN4O4H26C27 (1)
Stoich.:	AB4C4D26E27 (1)
Weight, g/mol:	502.1021
ΔH_f, kcal/mol:	-27.68
Dipole, Da:	7.24
IP(EA), eV:	-8.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-(3-phenylphenyl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC(=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations