Geometry & MOs

Info

ID:	175377
PubChem CID:	75891872
Reduced:	NSO3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	439.192963
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	5.86
IP(EA), eV:	-9.17(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)OC1=CC=C(C=C1)C(=O)N)SCC2=CC=CC=C2

DOS

IR

Vibrations