Geometry & MOs

Info

ID:	273912
PubChem CID:	103805800
Reduced:	ON2F4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	234.103814
ΔH_f, kcal/mol:	-244.73
Dipole, Da:	5.43
IP(EA), eV:	-9.26(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfonylacetamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N)NC(=O)C2=C(C(=CC=C2)C(F)(F)F)F

DOS

IR

Vibrations