Geometry & MOs

Info

ID:	282223
PubChem CID:	103919054
Reduced:	NSO2C16H27 (1)
Stoich.:	ABC2D16E27 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-115.61
Dipole, Da:	6.0
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-hydroxyhexyl)-4-(methylsulfonylmethyl)benzamide

Drug info:

PubChemData

Smile

CCCC1=C(C=C(S1)C(=O)NCCCCCCO)CC

DOS

IR

Vibrations