Geometry & MOs

Info

ID:	419419
PubChem CID:	135108138
Reduced:	ClN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	376.126835
ΔH_f, kcal/mol:	-44.25
Dipole, Da:	1.74
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=CC4=C(N3)C=CC(=C4)Cl

DOS

IR

Vibrations