Geometry & MOs

Info

ID:	236174
PubChem CID:	92711822
Reduced:	FOSN2C25H27 (1)
Stoich.:	ABCD2E25F27 (1)
Weight, g/mol:	418.162746
ΔH_f, kcal/mol:	-46.5
Dipole, Da:	6.05
IP(EA), eV:	-8.8(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-4-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@H]2C3=CC=C(C=C3)F)C(=O)NCC4=CC=C(C=C4)C)C

DOS

IR

Vibrations