Geometry & MOs

Info

ID:	271637
PubChem CID:	103686621
Reduced:	NOC13H27 (1)
Stoich.:	ABC13D27 (1)
Weight, g/mol:	345.19738
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	2.95
IP(EA), eV:	-8.72(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylcyclohexyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Drug info:

PubChemData

Smile

CN(CCCCCC=C)CCCCCO

DOS

IR

Vibrations