Geometry & MOs

Info

ID:	307873
PubChem CID:	125310325
Reduced:	FO3N5H12C16 (1)
Stoich.:	AB3C5D12E16 (1)
Weight, g/mol:	442.164105
ΔH_f, kcal/mol:	-27.58
Dipole, Da:	7.06
IP(EA), eV:	-9.57(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-2-(4-nitrophenyl)-5-phenyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

C1[C@H](N2C(=NC1=O)N=C(N2)C3=CC=CO3)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations