Geometry & MOs

Info

ID:	41790
PubChem CID:	8147116
Reduced:	N2O2S2H16C17 (1)
Stoich.:	A2B2C2D16E17 (1)
Weight, g/mol:	384.09662
ΔH_f, kcal/mol:	8.79
Dipole, Da:	2.91
IP(EA), eV:	-8.98(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)/C=C/C(=O)NCCSCC3=CC=CO3

DOS

IR

Vibrations