Geometry & MOs

Info

ID:	154632
PubChem CID:	56314111
Reduced:	S2O4N5C17H17 (1)
Stoich.:	A2B4C5D17E17 (1)
Weight, g/mol:	380.182396
ΔH_f, kcal/mol:	-46.28
Dipole, Da:	4.37
IP(EA), eV:	-8.77(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-phenylpyrrolidin-3-yl)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)NNC3=NC=CC(=N3)OC

DOS

IR

Vibrations