Geometry & MOs

Info

ID:	339463
PubChem CID:	127261396
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	472.196669
ΔH_f, kcal/mol:	-17.51
Dipole, Da:	2.19
IP(EA), eV:	-8.8(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-6-(2-ethylpiperidin-1-yl)-4-methyl-2-oxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)/C(=C\O)/C2=CC=CC=C2

DOS

IR

Vibrations