Geometry & MOs

Info

ID:	32947
PubChem CID:	7849666
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	392.140593
ΔH_f, kcal/mol:	-115.44
Dipole, Da:	4.3
IP(EA), eV:	-9.66(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC(C)C

DOS

IR

Vibrations