Geometry & MOs

Info

ID:	419039
PubChem CID:	135107375
Reduced:	NO5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	356.140593
ΔH_f, kcal/mol:	-217.32
Dipole, Da:	2.83
IP(EA), eV:	-8.4(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCN2CCC3(CC2)[C@H]([C@](CCO3)(C)O)O)OC

DOS

IR

Vibrations