Geometry & MOs

Info

ID:	83315
PubChem CID:	49857442
Reduced:	F2O2N5C24H25 (1)
Stoich.:	A2B2C5D24E25 (1)
Weight, g/mol:	501.164617
ΔH_f, kcal/mol:	-87.97
Dipole, Da:	2.36
IP(EA), eV:	-8.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

Drug info:

PubChemData

Smile

C1CN2C(=NC(=C2NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CN1C(=O)CN5CCOCC5

DOS

IR

Vibrations