Geometry & MOs

Info

ID:	125522
PubChem CID:	50927640
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	412.193297
ΔH_f, kcal/mol:	-55.04
Dipole, Da:	4.56
IP(EA), eV:	-8.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NCC3=CC=C(C=C3)C

DOS

IR

Vibrations