Geometry & MOs

Info

ID:	336
PubChem CID:	2609
Reduced:	ClSN3O4H14C15 (1)
Stoich.:	ABC3D4E14F15 (1)
Weight, g/mol:	367.039355
ΔH_f, kcal/mol:	-102.97
Dipole, Da:	7.75
IP(EA), eV:	-9.53(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-amino-2-phenylacetyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl

DOS

IR

Vibrations