Geometry & MOs

Info

ID:	417321
PubChem CID:	135092059
Reduced:	F2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	354.161329
ΔH_f, kcal/mol:	-48.56
Dipole, Da:	0.97
IP(EA), eV:	-9.03(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations