Geometry & MOs

Info

ID:	63698
PubChem CID:	26758997
Reduced:	N2F3O6C14H15 (1)
Stoich.:	A2B3C6D14E15 (1)
Weight, g/mol:	374.184172
ΔH_f, kcal/mol:	-384.32
Dipole, Da:	4.99
IP(EA), eV:	-9.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC(F)(F)F)OC

DOS

IR

Vibrations