Geometry & MOs

Info

ID:	386160
PubChem CID:	134980939
Reduced:	NSO3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	378.062957
ΔH_f, kcal/mol:	-65.82
Dipole, Da:	5.15
IP(EA), eV:	-9.34(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

carbanide;dioxorhenium;pent-1-ynylbenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@H](OC=N2)C3=CC=CC=C3C

DOS

IR

Vibrations