Geometry & MOs

Info

ID:	381517
PubChem CID:	134972279
Reduced:	N2O5C24H26 (1)
Stoich.:	A2B5C24D26 (1)
Weight, g/mol:	305.04837
ΔH_f, kcal/mol:	-155.96
Dipole, Da:	4.1
IP(EA), eV:	-9.08(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(benzenesulfonyl)-4-methoxy-3H-2-benzofuran-1-ylidene]oxidanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)/N=C\1/C2=CC=CC=C2C3=CC=CC=C3C1=O

DOS

IR

Vibrations