Geometry & MOs

Info

ID:	219476
PubChem CID:	85148732
Reduced:	ClO6N7C21H32 (1)
Stoich.:	AB6C7D21E32 (1)
Weight, g/mol:	513.139009
ΔH_f, kcal/mol:	-280.33
Dipole, Da:	8.46
IP(EA), eV:	-9.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[N-[[3-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-ylidene]amino]-C-methylcarbonimidoyl]-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC1=CC=CC=C1.Cl

DOS

IR

Vibrations