Geometry & MOs

Info

ID:	32106
PubChem CID:	4266073
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	447.024489
ΔH_f, kcal/mol:	-165.28
Dipole, Da:	7.77
IP(EA), eV:	-8.76(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)C(=CC3=C(C=C(C=C3)N4CCCCC4)F)C(=O)NC2=O

DOS

IR

Vibrations