Geometry & MOs

Info

ID:	165858
PubChem CID:	74605657
Reduced:	SN3O4H17C22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	438.96553
ΔH_f, kcal/mol:	-29.11
Dipole, Da:	6.11
IP(EA), eV:	-8.78(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-chloro-4-[[1-(3,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-methoxyphenolate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C=CC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations