Geometry & MOs

Info

ID:	296952
PubChem CID:	117602263
Reduced:	O7C17H18 (1)
Stoich.:	A7B17C18 (1)
Weight, g/mol:	836.298371
ΔH_f, kcal/mol:	-235.7
Dipole, Da:	0.6
IP(EA), eV:	-8.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-diethoxyphosphoryl-3-[4-[4-[4-octyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]phenyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC(=O)OC2=C(C=C(C=C2)OC)CO)CO

DOS

IR

Vibrations