Geometry & MOs

Info

ID:	390814
PubChem CID:	135001108
Reduced:	SN2Se2O8H22C23 (1)
Stoich.:	AB2C2D8E22F23 (1)
Weight, g/mol:	357.0268
ΔH_f, kcal/mol:	-254.62
Dipole, Da:	7.77
IP(EA), eV:	-8.28(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxoprop-1-enyl] selenocyanate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(/C(=C\C=C\C3=[N+](C4=CC=CC=C4[Se]3)CCC(=O)O)/[Se]2)CCC(=O)O.OS(=O)(=O)[O-]

DOS

IR

Vibrations