Geometry & MOs

Info

ID:	422037
PubChem CID:	135117053
Reduced:	N3O4C16H23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	360.115521
ΔH_f, kcal/mol:	-157.73
Dipole, Da:	5.94
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C2=C(C=CC=N2)C(=O)NC)C(=O)O

DOS

IR

Vibrations