Geometry & MOs

Info

ID:	37465
PubChem CID:	8021385
Reduced:	FNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	333.174022
ΔH_f, kcal/mol:	-171.4
Dipole, Da:	5.02
IP(EA), eV:	-9.71(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)F

DOS

IR

Vibrations