Geometry & MOs

Info

ID:	176958
PubChem CID:	76117202
Reduced:	SO2N3C7H9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	474.143387
ΔH_f, kcal/mol:	1.9
Dipole, Da:	3.81
IP(EA), eV:	-9.75(-2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(amino-methyl-oxo-lambda6-sulfanylidene)-2-[[4-[(2-amino-4-oxo-4aH-pteridin-6-yl)methylamino]benzoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=O)N=NC1=S

DOS

IR

Vibrations