Geometry & MOs

Info

ID:	153877
PubChem CID:	56313209
Reduced:	S2N3O3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	423.176976
ΔH_f, kcal/mol:	-29.27
Dipole, Da:	8.45
IP(EA), eV:	-8.37(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-[1-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCC4=C(C3)C5=CC=CC=C5N4

DOS

IR

Vibrations