Geometry & MOs

Info

ID:	218062
PubChem CID:	85088808
Reduced:	ClF4N4O4C15H15 (1)
Stoich.:	AB4C4D4E15F15 (1)
Weight, g/mol:	432.138675
ΔH_f, kcal/mol:	-316.34
Dipole, Da:	2.85
IP(EA), eV:	-9.17(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-d]pyrimidine-2-thione

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C2=C(C=C(C(=C2)NC(=O)N(C)OC)Cl)F)C(F)(F)F

DOS

IR

Vibrations