Geometry & MOs

Info

ID:	64919
PubChem CID:	29204199
Reduced:	ClSN3O3C17H20 (1)
Stoich.:	ABC3D3E17F20 (1)
Weight, g/mol:	340.109089
ΔH_f, kcal/mol:	-86.07
Dipole, Da:	4.75
IP(EA), eV:	-9.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-chloro-3-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC1=CN=CC=C1)NS(=O)(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations