Geometry & MOs

Info

ID:	422524
PubChem CID:	135117984
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	356.140593
ΔH_f, kcal/mol:	-74.27
Dipole, Da:	6.17
IP(EA), eV:	-8.57(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)SCC(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations