Geometry & MOs

Info

ID:	63291
PubChem CID:	26750498
Reduced:	NSO6C17H17 (1)
Stoich.:	ABC6D17E17 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-204.42
Dipole, Da:	2.77
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

DOS

IR

Vibrations