Geometry & MOs

Info

ID:	397853
PubChem CID:	135030844
Reduced:	ClN4O5C31H35 (1)
Stoich.:	AB4C5D31E35 (1)
Weight, g/mol:	296.141245
ΔH_f, kcal/mol:	-175.1
Dipole, Da:	1.88
IP(EA), eV:	-8.47(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzyl-2-methyl-3-oxo-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(CN1C2=C(C=C(C=C2)Cl)[C@@](C1=O)(CC(=O)NC3=CC=C(C=C3)C)NC(=O)NC4=CC=C(C=C4)C)OCC

DOS

IR

Vibrations