Geometry & MOs

Info

ID:	397996
PubChem CID:	135031297
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-81.09
Dipole, Da:	2.87
IP(EA), eV:	-9.44(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (3S)-3-benzamido-5-methylhexanoate

Drug info:

PubChemData

Smile

CC1(OC2C=C[C@H]3C4=CC=CC=C4C[C@@]2(C3=O)O1)C

DOS

IR

Vibrations