Geometry & MOs

Info

ID:	13335
PubChem CID:	226007
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	283.124215
ΔH_f, kcal/mol:	-132.82
Dipole, Da:	1.27
IP(EA), eV:	-8.65(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethyl)butanamide

Drug info:

PubChemData

Smile

CC(C)(CO)C(C(=O)NCCSC1=CC=CC=C1)O

DOS

IR

Vibrations