Geometry & MOs

Info

ID:	32945
PubChem CID:	7849664
Reduced:	FSO5H17C18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	392.140593
ΔH_f, kcal/mol:	-211.73
Dipole, Da:	7.55
IP(EA), eV:	-10.33(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations