Geometry & MOs

Info

ID:	222053
PubChem CID:	85293677
Reduced:	FPO6C26H50 (1)
Stoich.:	ABC6D26E50 (1)
Weight, g/mol:	509.231456
ΔH_f, kcal/mol:	-454.65
Dipole, Da:	2.2
IP(EA), eV:	-9.56(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyclohexylimino-3-ethoxy-1-phenylbuta-1,3-dienyl)-4-nitro-N-phenylbenzamide

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OCC(CC(F)P(=O)(OCC)OCC)O

DOS

IR

Vibrations