Geometry & MOs

Info

ID:	29988
PubChem CID:	838758
Reduced:	ClNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	332.048318
ΔH_f, kcal/mol:	-60.97
Dipole, Da:	3.92
IP(EA), eV:	-9.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-5-(2,5-dichlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=C(N=C2C(=C1SCC(=O)O)C=CC=C2Cl)C

DOS

IR

Vibrations