Geometry & MOs

Info

ID:	153581
PubChem CID:	56312834
Reduced:	S2N3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	391.161995
ΔH_f, kcal/mol:	-41.66
Dipole, Da:	0.81
IP(EA), eV:	-8.73(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3=NC=CC(=C3)C

DOS

IR

Vibrations