Geometry & MOs

Info

ID:	281580
PubChem CID:	103914073
Reduced:	NS2O3C10H21 (1)
Stoich.:	AB2C3D10E21 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	-156.22
Dipole, Da:	4.15
IP(EA), eV:	-8.18(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(CNC1CCCS(=O)(=O)C1)(CSC)O

DOS

IR

Vibrations