Geometry & MOs

Info

ID:	418067
PubChem CID:	135103458
Reduced:	SN4O6C31H34 (1)
Stoich.:	AB4C6D31E34 (1)
Weight, g/mol:	341.140927
ΔH_f, kcal/mol:	-156.26
Dipole, Da:	3.72
IP(EA), eV:	-9.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C5CCN(CC5)C(=O)C6=CC=CS6

DOS

IR

Vibrations