Geometry & MOs

Info

ID:	422425
PubChem CID:	135117815
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	386.131171
ΔH_f, kcal/mol:	-27.44
Dipole, Da:	3.57
IP(EA), eV:	-9.17(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)NCC2=NOC(=N2)COC

DOS

IR

Vibrations