Geometry & MOs

Info

ID:	274805
PubChem CID:	103811784
Reduced:	OSN2C11H22 (1)
Stoich.:	ABC2D11E22 (1)
Weight, g/mol:	232.160935
ΔH_f, kcal/mol:	-75.36
Dipole, Da:	2.2
IP(EA), eV:	-8.67(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3,3-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)butanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)[C@@H]1CCCCN1)SC

DOS

IR

Vibrations