Geometry & MOs

Info

ID:	68538
PubChem CID:	46508609
Reduced:	S2N3O5C17H19 (1)
Stoich.:	A2B3C5D17E19 (1)
Weight, g/mol:	468.11775
ΔH_f, kcal/mol:	-84.2
Dipole, Da:	5.75
IP(EA), eV:	-9.42(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzoylphenyl)-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N(CC2=CC=CS2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations