Geometry & MOs

Info

ID:	21971
PubChem CID:	594468
Reduced:	Cl2S2N4H12C15 (1)
Stoich.:	A2B2C4D12E15 (1)
Weight, g/mol:	381.988044
ΔH_f, kcal/mol:	82.18
Dipole, Da:	3.59
IP(EA), eV:	-8.66(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,4-dichlorophenyl)methyl-methylamino]pyrido[3,2-d]pyrimidine-2,4-dithiol

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)Cl)Cl)C2=NC3=C(C=C2)N=C(N=C3S)S

DOS

IR

Vibrations