Geometry & MOs

Info

ID:	173391
PubChem CID:	75633245
Reduced:	ClSN2O5C24H25 (1)
Stoich.:	ABC2D5E24F25 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-143.19
Dipole, Da:	5.52
IP(EA), eV:	-9.21(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-2,4-dioxo-7-phenyl-4a,7a-dihydropyrrolo[3,2-d]pyrimidin-1-yl)-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN=C1N(C(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)C(=O)O)OCC)S1)CC

DOS

IR

Vibrations