Geometry & MOs

Info

ID:	407369
PubChem CID:	135079947
Reduced:	PN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	388.046907
ΔH_f, kcal/mol:	-2.75
Dipole, Da:	2.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760027
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-diazonio-2-[3,4-dimethyl-2-(5-thiophen-2-ylthiophen-2-yl)phosphol-1-yl]-1-ethoxyethenolate

Drug info:

PubChemData

Smile

CCO/C(=C(\[N+]#N)/P1C=C(C(=C1C2=CC=CC=C2)C)C)/O

DOS

IR

Vibrations