Geometry & MOs

Info

ID:	122354
PubChem CID:	50803575
Reduced:	FSO3N6H23C24 (1)
Stoich.:	ABC3D6E23F24 (1)
Weight, g/mol:	510.124087
ΔH_f, kcal/mol:	-45.79
Dipole, Da:	4.43
IP(EA), eV:	-9.12(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-4-[[2-(3-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN3C(=O)C=C(N=C3S2)CN4CCN(CC4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations