Geometry & MOs

Info

ID:	197825
PubChem CID:	79004661
Reduced:	NSO3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	-153.5
Dipole, Da:	4.09
IP(EA), eV:	-9.44(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NCC(C)(C)O

DOS

IR

Vibrations