Geometry & MOs

Info

ID:	122358
PubChem CID:	50803677
Reduced:	FOSN4H21C26 (1)
Stoich.:	ABCD4E21F26 (1)
Weight, g/mol:	446.154325
ΔH_f, kcal/mol:	58.3
Dipole, Da:	4.12
IP(EA), eV:	-9.12(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(4-chlorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-cyclohexyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)F)CC3=CC(=O)N4C(=N3)SC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations