Geometry & MOs

Info

ID:	153382
PubChem CID:	56312570
Reduced:	S2N3O4C23H29 (1)
Stoich.:	A2B3C4D23E29 (1)
Weight, g/mol:	400.208611
ΔH_f, kcal/mol:	-130.07
Dipole, Da:	5.42
IP(EA), eV:	-8.49(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)C(=O)CC4CCCC4

DOS

IR

Vibrations