Geometry & MOs

Info

ID:	218690
PubChem CID:	85089811
Reduced:	ClNO8C24H30 (1)
Stoich.:	ABC8D24E30 (1)
Weight, g/mol:	496.091351
ΔH_f, kcal/mol:	-306.86
Dipole, Da:	6.77
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4-oxo-4aH-pteridin-6-yl)methyl 6-oxo-3-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)N1CCC23C1(CC(C24C(C(=CC4=O)OC)C(=O)OCC)Cl)C(=C(C(=O)C3)OC)OC

DOS

IR

Vibrations