Geometry & MOs

Info

ID:	32992
PubChem CID:	7850001
Reduced:	FO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-114.53
Dipole, Da:	2.04
IP(EA), eV:	-9.45(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations