Geometry & MOs

Info

ID:	309714
PubChem CID:	126555829
Reduced:	OSN3C7H10 (2)
Stoich.:	ABC3D7E10 (2)
Weight, g/mol:	434.188881
ΔH_f, kcal/mol:	10.75
Dipole, Da:	5.38
IP(EA), eV:	-8.35(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(1-acetyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C(=S)NNC2=C3C(=NCC2)C=CC=N3

DOS

IR

Vibrations