Geometry & MOs

Info

ID:	309727
PubChem CID:	126556385
Reduced:	ClOSN5C14H18 (1)
Stoich.:	ABCD5E14F18 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	34.29
Dipole, Da:	5.02
IP(EA), eV:	-8.27(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=S)N/N=C\2/CCOC3=C(C=CN=C23)Cl

DOS

IR

Vibrations