Geometry & MOs

Info

ID:	29010
PubChem CID:	831101
Reduced:	SO2N3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	327.067762
ΔH_f, kcal/mol:	1.43
Dipole, Da:	6.59
IP(EA), eV:	-8.5(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O

DOS

IR

Vibrations