Geometry & MOs

Info

ID:	421481
PubChem CID:	135116075
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	356.140593
ΔH_f, kcal/mol:	-121.2
Dipole, Da:	3.21
IP(EA), eV:	-9.56(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-[4-(hydroxymethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)CC(C1CCN(CC1)C2=NOC(=C2C(=O)O)C3=CC=CC=C3)O

DOS

IR

Vibrations