Geometry & MOs

Info

ID:	171292
PubChem CID:	75354050
Reduced:	S2N3O3C18H23 (1)
Stoich.:	A2B3C3D18E23 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-43.11
Dipole, Da:	18.07
IP(EA), eV:	-8.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)-methoxymethanolate;morpholin-4-ium

Drug info:

PubChemData

Smile

CCOC(=C1C(C(=C(N=C1C)S)C#N)C2=CSC=C2)[O-].C1COCC[NH2+]1

DOS

IR

Vibrations