Geometry & MOs

Info

ID:	177250
PubChem CID:	76153844
Reduced:	ClFO2N4C25H34 (1)
Stoich.:	ABC2D4E25F34 (1)
Weight, g/mol:	423.176919
ΔH_f, kcal/mol:	-150.24
Dipole, Da:	9.07
IP(EA), eV:	-8.53(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-8-benzylidene-4-phenyl-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)N(C2=O)CCCN(C)C)C.Cl

DOS

IR

Vibrations