Geometry & MOs

Info

ID:	180507
PubChem CID:	76646309
Reduced:	YN4C8H13 (1)
Stoich.:	AB4C8D13 (1)
Weight, g/mol:	531.163293
ΔH_f, kcal/mol:	101.72
Dipole, Da:	5.73
IP(EA), eV:	-5.34(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl]cyclohexyl]acetamide

Drug info:

PubChemData

Smile

CCNC1=N[C-]=C(C(=N1)NC)C.[Y]

DOS

IR

Vibrations