Geometry & MOs

Info

ID:	416765
PubChem CID:	135090325
Reduced:	O4N5C25H31 (1)
Stoich.:	A4B5C25D31 (1)
Weight, g/mol:	330.104956
ΔH_f, kcal/mol:	-82.34
Dipole, Da:	10.19
IP(EA), eV:	-9.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCCCN3C=C(CCCC(=O)N4[C@@H]5CC[C@H]4[C@@H]6[C@H]5CN(C6)C2=O)N=N3

DOS

IR

Vibrations