Geometry & MOs

Info

ID:	62820
PubChem CID:	26737016
Reduced:	N3O6C25H25 (1)
Stoich.:	A3B6C25D25 (1)
Weight, g/mol:	388.060331
ΔH_f, kcal/mol:	-197.35
Dipole, Da:	9.79
IP(EA), eV:	-9.42(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl 5-[(5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carbonyl)amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCCC4=N3)C(=O)OC

DOS

IR

Vibrations