Geometry & MOs

Info

ID:	273344
PubChem CID:	103770936
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	243.183444
ΔH_f, kcal/mol:	-141.96
Dipole, Da:	8.11
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-2-(oxan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)N1)SC)C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations