Geometry & MOs

Info

ID:	155501
PubChem CID:	56365837
Reduced:	ClNSF2O2H14C16 (1)
Stoich.:	ABCD2E2F14G16 (1)
Weight, g/mol:	484.07836
ΔH_f, kcal/mol:	-150.17
Dipole, Da:	3.57
IP(EA), eV:	-9.13(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetylpiperazin-1-yl)-N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(=O)NC2=C(C(=CC=C2)Cl)SC(F)F

DOS

IR

Vibrations