Geometry & MOs

Info

ID:	432931
PubChem CID:	135173068
Reduced:	SO5N6H12C14 (1)
Stoich.:	AB5C6D12E14 (1)
Weight, g/mol:	354.144038
ΔH_f, kcal/mol:	-85.07
Dipole, Da:	7.01
IP(EA), eV:	-9.49(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide

Drug info:

PubChemData

Smile

C1=C(C=NC=C1C(=O)O)/C=C/C=N/NC(=O)CSC2=NNC(=O)NC2=O

DOS

IR

Vibrations