Geometry & MOs

Info

ID:	280672
PubChem CID:	103850635
Reduced:	N2O2S2C11H18 (1)
Stoich.:	A2B2C2D11E18 (1)
Weight, g/mol:	281.162708
ΔH_f, kcal/mol:	-91.6
Dipole, Da:	5.66
IP(EA), eV:	-8.44(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CCC(CCO)NC(=O)CC1=C(NC(=S)S1)C

DOS

IR

Vibrations