Geometry & MOs

Info

ID:	273183
PubChem CID:	103770644
Reduced:	ClN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	309.17625
ΔH_f, kcal/mol:	-88.82
Dipole, Da:	2.55
IP(EA), eV:	-9.93(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-2-hydroxypentyl)-3-(4-methylphenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1=C(N=CC=C1)Cl)O

DOS

IR

Vibrations