Geometry & MOs

Info

ID:	81269
PubChem CID:	49854530
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-63.22
Dipole, Da:	4.02
IP(EA), eV:	-8.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C=C(N=C1CC(=O)NC2=C3C=CSC3=CC=C2)N4CCOCC4

DOS

IR

Vibrations