Geometry & MOs

Info

ID:	309767
PubChem CID:	126557908
Reduced:	ClSO2N5C15H18 (1)
Stoich.:	ABC2D5E15F18 (1)
Weight, g/mol:	380.178316
ΔH_f, kcal/mol:	-14.33
Dipole, Da:	1.39
IP(EA), eV:	-8.46(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2,3-dihydro-1,5-naphthyridin-4-yl)-4-(2-methylphenyl)piperazine-1-carbothiohydrazide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=S)N/N=C\2/CCOC3=C(C=CN=C23)Cl

DOS

IR

Vibrations