Geometry & MOs

Info

ID:	62397
PubChem CID:	26719674
Reduced:	ClFSN3O4H19C22 (1)
Stoich.:	ABCD3E4F19G22 (1)
Weight, g/mol:	317.152812
ΔH_f, kcal/mol:	-153.0
Dipole, Da:	8.85
IP(EA), eV:	-8.41(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-(4-methylphenyl)-2-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations