Geometry & MOs

Info

ID:	147817
PubChem CID:	53787475
Reduced:	ClN2O5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	327.102606
ΔH_f, kcal/mol:	-219.31
Dipole, Da:	1.9
IP(EA), eV:	-9.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-chlorophenyl)-3-cyano-2-phenylbutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)NOCC1=CC=CC=C1Cl

DOS

IR

Vibrations