Geometry & MOs

Info

ID:	197883
PubChem CID:	79010924
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	212.188863
ΔH_f, kcal/mol:	-132.85
Dipole, Da:	7.26
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-methyl-N-(2-methylcyclohexyl)butanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NC(=O)CCCSC1=CC=CC=C1

DOS

IR

Vibrations