Geometry & MOs

Info

ID:	572
PubChem CID:	3012
Reduced:	FOSN3H26C27 (1)
Stoich.:	ABCD3E26F27 (1)
Weight, g/mol:	459.178062
ΔH_f, kcal/mol:	-1.31
Dipole, Da:	3.34
IP(EA), eV:	-8.77(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(C4=CC=CC=C4)C5=CC=C(C=C5)F)CC3

DOS

IR

Vibrations