Geometry & MOs

Info

ID:	56384
PubChem CID:	17425275
Reduced:	OSN2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	438.128314
ΔH_f, kcal/mol:	-42.23
Dipole, Da:	4.05
IP(EA), eV:	-8.58(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C(C)SCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

DOS

IR

Vibrations