Geometry & MOs

Info

ID:	397963
PubChem CID:	135031142
Reduced:	ClOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	343.097521
ΔH_f, kcal/mol:	-12.27
Dipole, Da:	2.96
IP(EA), eV:	-9.38(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (3R)-3-benzamido-3-(4-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)Cl)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations