Geometry & MOs

Info

ID:	193648
PubChem CID:	78419018
Reduced:	SN3O6C21H21 (1)
Stoich.:	AB3C6D21E21 (1)
Weight, g/mol:	370.13223
ΔH_f, kcal/mol:	-156.89
Dipole, Da:	7.17
IP(EA), eV:	-8.23(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-3-cyclohexyl-4aH-pyrido[2,3-d]pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N=CC(C4=O)C(=O)O

DOS

IR

Vibrations