Geometry & MOs

Info

ID:	43816
PubChem CID:	10321827
Reduced:	SO2F3N4C21H27 (1)
Stoich.:	AB2C3D4E21F27 (1)
Weight, g/mol:	456.071468
ΔH_f, kcal/mol:	-200.18
Dipole, Da:	6.72
IP(EA), eV:	-8.36(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-cyanophenyl)methyl]-5-phenyl-1,2,4-oxathiazol-4-ium-3-ylidene]benzamide;thiocyanate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)N(C)C)NC(=O)C2=C(N=C(S2)C(CN3CCCC3)O)C(F)(F)F

DOS

IR

Vibrations