Geometry & MOs

Info

ID:	139247
PubChem CID:	52497593
Reduced:	N2S2O3C19H28 (1)
Stoich.:	A2B2C3D19E28 (1)
Weight, g/mol:	459.219178
ΔH_f, kcal/mol:	-120.53
Dipole, Da:	8.52
IP(EA), eV:	-9.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-(propan-2-ylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)CCCN2C(=O)[C@@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations