Geometry & MOs

Info

ID:	80781
PubChem CID:	49836691
Reduced:	SO2C5N6H8 (1)
Stoich.:	AB2C5D6E8 (1)
Weight, g/mol:	353.073322
ΔH_f, kcal/mol:	41.31
Dipole, Da:	4.53
IP(EA), eV:	-9.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(benzenesulfonyl)-4-fluoro-4-nitro-3-phenylbutan-1-ol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1C=CN=C1N=[N+]=[N-]

DOS

IR

Vibrations