Geometry & MOs

Info

ID:	154848
PubChem CID:	56314390
Reduced:	N2S2O4C25H26 (1)
Stoich.:	A2B2C4D25E26 (1)
Weight, g/mol:	461.088467
ΔH_f, kcal/mol:	-93.82
Dipole, Da:	8.11
IP(EA), eV:	-8.55(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)-[1-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)S(=O)(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations