Geometry & MOs

Info

ID:	26475
PubChem CID:	649560
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-5.37
Dipole, Da:	4.73
IP(EA), eV:	-9.3(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C(C2=CC=CS2)N(C3=CC=CC=C3)C(=O)C4=CC=NO4

DOS

IR

Vibrations