Geometry & MOs

Info

ID:	309728
PubChem CID:	126556386
Reduced:	OSN5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	382.157581
ΔH_f, kcal/mol:	26.6
Dipole, Da:	6.51
IP(EA), eV:	-8.13(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=S)N/N=C\2/CCOC3=C(C=CN=C23)C

DOS

IR

Vibrations