Geometry & MOs

Info

ID:	125523
PubChem CID:	50927641
Reduced:	SO2N4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	412.193297
ΔH_f, kcal/mol:	-61.7
Dipole, Da:	4.14
IP(EA), eV:	-8.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(3-butan-2-yl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations