Geometry & MOs

Info

ID:	371360
PubChem CID:	127345849
Reduced:	SN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	349.171165
ΔH_f, kcal/mol:	-86.94
Dipole, Da:	5.54
IP(EA), eV:	-8.8(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(oxolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CCCC1CCC2=C(C1)SC(=N2)NC(=O)CC3CCOC3

DOS

IR

Vibrations