Geometry & MOs

Info

ID:	344120
PubChem CID:	127267296
Reduced:	FN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	284.132527
ΔH_f, kcal/mol:	-96.18
Dipole, Da:	4.06
IP(EA), eV:	-10.04(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-aminocyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=NC=C(C=C2)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations