Geometry & MOs

Info

ID:	280457
PubChem CID:	103849397
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	319.037813
ΔH_f, kcal/mol:	-127.76
Dipole, Da:	4.6
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NCC2(CCOC2)O)C

DOS

IR

Vibrations