Geometry & MOs

Info

ID:	420885
PubChem CID:	135114988
Reduced:	NO4C22H31 (1)
Stoich.:	AB4C22D31 (1)
Weight, g/mol:	356.140593
ΔH_f, kcal/mol:	-181.44
Dipole, Da:	6.4
IP(EA), eV:	-9.1(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)[C@@H](C4CCCCC4)O)OCC2

DOS

IR

Vibrations