Geometry & MOs

Info

ID:	398156
PubChem CID:	135032041
Reduced:	Cl2S2N3C19H27 (1)
Stoich.:	A2B2C3D19E27 (1)
Weight, g/mol:	422.021174
ΔH_f, kcal/mol:	6.14
Dipole, Da:	1.5
IP(EA), eV:	-8.43(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-bis(butylsulfanyl)-3,6-dichloro-4-(chloromethyl)-2,7-naphthyridine

Drug info:

PubChemData

Smile

CCCCSC1=C2C(=CC(=N1)Cl)C(=C(N=C2SCCCC)Cl)CN(C)C

DOS

IR

Vibrations