Geometry & MOs

Info

ID:	37464
PubChem CID:	8021384
Reduced:	ClFNO3H17C19 (1)
Stoich.:	ABCD3E17F19 (1)
Weight, g/mol:	333.174022
ΔH_f, kcal/mol:	-118.92
Dipole, Da:	6.62
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)Cl)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)F

DOS

IR

Vibrations