Geometry & MOs

Info

ID:	416077
PubChem CID:	135089085
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	342.124943
ΔH_f, kcal/mol:	41.05
Dipole, Da:	0.92
IP(EA), eV:	-8.33(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)SC)NCC3=NOC(=C3)C(C)C

DOS

IR

Vibrations