Geometry & MOs

Info

ID:	243905
PubChem CID:	99300587
Reduced:	SCl2N4O4C20H24 (1)
Stoich.:	AB2C4D4E20F24 (1)
Weight, g/mol:	373.09819
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	6.68
IP(EA), eV:	-9.14(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-(2-phenylphenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=C(N=C(C=C3)Cl)Cl

DOS

IR

Vibrations