Geometry & MOs

Info

ID:	417934
PubChem CID:	135103089
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	388.122356
ΔH_f, kcal/mol:	-38.6
Dipole, Da:	4.69
IP(EA), eV:	-9.15(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations