Geometry & MOs

Info

ID:	201093
PubChem CID:	79488938
Reduced:	S2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	304.088164
ΔH_f, kcal/mol:	83.1
Dipole, Da:	3.99
IP(EA), eV:	-8.41(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCNCC1=C(N=C2N1C=CS2)N(C)CCC3=CC=CS3

DOS

IR

Vibrations