Geometry & MOs

Info

ID:	390395
PubChem CID:	134998944
Reduced:	N4O7H14C20 (2)
Stoich.:	A4B7C14D20 (2)
Weight, g/mol:	451.88884
ΔH_f, kcal/mol:	-185.88
Dipole, Da:	3.05
IP(EA), eV:	-10.28(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-diphenoxy-1,2,3-benzothiadiselenole

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)C3=NO[N+](=C3C4=NC(=NC(=N4)OC5=CC=C(C=C5)C(=O)OC)OC6=CC=C(C=C6)C(=O)OC)[O-])OC7=CC=C(C=C7)C(=O)OC

DOS

IR

Vibrations