Geometry & MOs

Info

ID:	38791
PubChem CID:	8137931
Reduced:	SCl2O2N4H14C16 (1)
Stoich.:	AB2C2D4E14F16 (1)
Weight, g/mol:	377.033397
ΔH_f, kcal/mol:	-2.69
Dipole, Da:	4.6
IP(EA), eV:	-9.26(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-4-methylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)CN3C(=O)C(=C(C=N3)Cl)Cl

DOS

IR

Vibrations