Geometry & MOs

Info

ID:	414805
PubChem CID:	135087768
Reduced:	F2O2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	394.076549
ΔH_f, kcal/mol:	-85.24
Dipole, Da:	5.66
IP(EA), eV:	-8.99(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=C(C2=N1)F)F)N3C[C@H]([C@H](C3)OC)CC4=CC(=NO4)C

DOS

IR

Vibrations