Geometry & MOs

Info

ID:	205588
PubChem CID:	80123697
Reduced:	NOSC16H27 (1)
Stoich.:	ABCD16E27 (1)
Weight, g/mol:	295.1606
ΔH_f, kcal/mol:	-65.95
Dipole, Da:	2.78
IP(EA), eV:	-8.52(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-4-[(3,5-dimethylphenyl)methylsulfanyl]-2-methylpentanoate

Drug info:

PubChemData

Smile

CCCNC(C)(CO)CSCC1=CC(=CC(=C1)C)C

DOS

IR

Vibrations