Geometry & MOs

Info

ID:	123536
PubChem CID:	50852998
Reduced:	ClFO2N3H13C19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	411.107519
ΔH_f, kcal/mol:	-51.75
Dipole, Da:	4.91
IP(EA), eV:	-9.16(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations