Geometry & MOs

Info

ID:	31871
PubChem CID:	3721936
Reduced:	NSO3C18H29 (1)
Stoich.:	ABC3D18E29 (1)
Weight, g/mol:	535.168954
ΔH_f, kcal/mol:	-147.37
Dipole, Da:	6.03
IP(EA), eV:	-9.18(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1S(=O)(=O)NCC2CCCCCC2)C)C)OC

DOS

IR

Vibrations