Geometry & MOs

Info

ID:	414473
PubChem CID:	135087431
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	354.161329
ΔH_f, kcal/mol:	-45.51
Dipole, Da:	2.15
IP(EA), eV:	-8.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4,5-trimethylbenzamide

Drug info:

PubChemData

Smile

CNC1=C(C=CC=N1)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations