Geometry & MOs

Info

ID:	309716
PubChem CID:	126555947
Reduced:	SN5C9H11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	339.092059
ΔH_f, kcal/mol:	91.28
Dipole, Da:	3.47
IP(EA), eV:	-8.82(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylpiperazine-1-carbothioamide

Drug info:

PubChemData

Smile

C1CN=C2C=CC=NC2=C1NNC(=S)N

DOS

IR

Vibrations