Geometry & MOs

Info

ID:	122343
PubChem CID:	50803393
Reduced:	FOSN4C20H25 (1)
Stoich.:	ABCD4E20F25 (1)
Weight, g/mol:	522.148553
ΔH_f, kcal/mol:	-27.69
Dipole, Da:	5.44
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-[[2-(4-fluorophenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]piperazine-1-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCN(CC1=CC=C(C=C1)F)CC2=CC(=O)N3C(=N2)SC(=N3)C(C)(C)C

DOS

IR

Vibrations