Geometry & MOs

Info

ID:	224798
PubChem CID:	85355355
Reduced:	NSO4H25C27 (1)
Stoich.:	ABC4D25E27 (1)
Weight, g/mol:	462.103418
ΔH_f, kcal/mol:	-48.3
Dipole, Da:	7.6
IP(EA), eV:	-8.8(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[[3-(2-hydroxyphenyl)imino-1,5-dimethyl-2-phenylpyrazol-4-yl]amino]methylidene]cyclohexa-2,4-dien-1-one;zinc

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C(OC(=S)O2)C3C(C(=O)N3CC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations