Geometry & MOs

Info

ID:	122319
PubChem CID:	50802165
Reduced:	FN3O4H20C24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	472.054294
ΔH_f, kcal/mol:	-110.44
Dipole, Da:	8.4
IP(EA), eV:	-8.79(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(3,5-dimethylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)COC3=CC=CC(=C3)NC(=O)COC4=CC=CC=C4F

DOS

IR

Vibrations