Geometry & MOs

Info

ID:	391743
PubChem CID:	135009127
Reduced:	NSO6C21H27 (1)
Stoich.:	ABC6D21E27 (1)
Weight, g/mol:	160.039853
ΔH_f, kcal/mol:	-222.72
Dipole, Da:	6.76
IP(EA), eV:	-9.28(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-cyano-3H-2-benzofuran-1-ylidene)oxidanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC(C(C2O)O)N)COCC3=CC=CC=C3

DOS

IR

Vibrations