Geometry & MOs

Info

ID:	421100
PubChem CID:	135115382
Reduced:	FN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	384.171893
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	5.04
IP(EA), eV:	-8.95(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)CC3=CC(=O)C4=C(N3)C(=CC=C4)F

DOS

IR

Vibrations