Geometry & MOs

Info

ID:	64357
PubChem CID:	29199273
Reduced:	SN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	373.074868
ΔH_f, kcal/mol:	-92.05
Dipole, Da:	8.61
IP(EA), eV:	-8.52(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@@H](CNS(=O)(=O)C2=C(C=C(C=C2)OC)OC)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations