Geometry & MOs

Info

ID:	31051
PubChem CID:	854302
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	232.012891
ΔH_f, kcal/mol:	-170.47
Dipole, Da:	4.86
IP(EA), eV:	-9.81(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)OC)NC(=O)C1CCCCC1

DOS

IR

Vibrations