Geometry & MOs

Info

ID:	312288
PubChem CID:	126604133
Reduced:	C9H9F11 (1)
Stoich.:	A9B9C11 (1)
Weight, g/mol:	766.279135
ΔH_f, kcal/mol:	-577.65
Dipole, Da:	4.01
IP(EA), eV:	-12.66(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[benzyl-[[3-[[2-[(E)-2-carboxy-2-cyanoethenyl]-5-(N-phenylanilino)phenoxy]methyl]phenyl]methyl]amino]-2-methoxyphenyl]-2-cyanoprop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C(C(C(C)(F)F)(F)F)(C(C(C)(F)F)(F)F)F)(F)F

DOS

IR

Vibrations