Geometry & MOs

Info

ID:	128821
PubChem CID:	51059586
Reduced:	SN2O6H10C15 (1)
Stoich.:	AB2C6D10E15 (1)
Weight, g/mol:	425.157343
ΔH_f, kcal/mol:	-90.36
Dipole, Da:	3.83
IP(EA), eV:	-10.37(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diaminomethylidene-[(E)-[1-(4-methoxyphenyl)-4-[(4-methoxyphenyl)carbamoyl]-2,5-dioxopyrrolidin-3-ylidene]amino]azanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations