Geometry & MOs

Info

ID:	125518
PubChem CID:	50927549
Reduced:	SN4O4C22H26 (1)
Stoich.:	AB4C4D22E26 (1)
Weight, g/mol:	412.193297
ΔH_f, kcal/mol:	-136.55
Dipole, Da:	0.76
IP(EA), eV:	-8.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OCC

DOS

IR

Vibrations