Geometry & MOs

Info

ID:	79515
PubChem CID:	49815675
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-44.27
Dipole, Da:	3.06
IP(EA), eV:	-8.59(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-1-yl)-2-[(3-ethyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations