Geometry & MOs

Info

ID:	309726
PubChem CID:	126556352
Reduced:	FOSN5C16H22 (1)
Stoich.:	ABCD5E16F22 (1)
Weight, g/mol:	339.092059
ΔH_f, kcal/mol:	-18.78
Dipole, Da:	6.11
IP(EA), eV:	-8.22(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-methylpiperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1)/C(=N\NC(=S)N3CCN(CC3)CCF)/CCO2

DOS

IR

Vibrations