Geometry & MOs

Info

ID:	276769
PubChem CID:	103825119
Reduced:	NO2C14H27 (1)
Stoich.:	AB2C14D27 (1)
Weight, g/mol:	295.1606
ΔH_f, kcal/mol:	-141.48
Dipole, Da:	5.03
IP(EA), eV:	-9.56(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-3-(4-methylphenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCC1(CCCC1)C(=O)NCC(C)(C)CCO

DOS

IR

Vibrations