Geometry & MOs

Info

ID:	417852
PubChem CID:	135102911
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	356.140593
ΔH_f, kcal/mol:	-92.84
Dipole, Da:	1.56
IP(EA), eV:	-8.68(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)OCCN2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations