Geometry & MOs

Info

ID:	220935
PubChem CID:	85244535
Reduced:	ClNO5C27H46 (1)
Stoich.:	ABC5D27E46 (1)
Weight, g/mol:	500.209993
ΔH_f, kcal/mol:	-260.18
Dipole, Da:	14.68
IP(EA), eV:	-7.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyanophenyl)methyl]-5-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]pent-4-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OC(CC(=O)OCCOC1=CC=CC=C1)C[N+](C)(C)C.[Cl-]

DOS

IR

Vibrations