Geometry & MOs

Info

ID:	123342
PubChem CID:	50843520
Reduced:	FOSN5C25H28 (1)
Stoich.:	ABCD5E25F28 (1)
Weight, g/mol:	488.139738
ΔH_f, kcal/mol:	-19.6
Dipole, Da:	6.29
IP(EA), eV:	-8.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC=CC(=N2)N3CCN(CC3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations