Geometry & MOs

Info

ID:	177218
PubChem CID:	76147610
Reduced:	N2O2S2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	339.98811
ΔH_f, kcal/mol:	-17.67
Dipole, Da:	3.29
IP(EA), eV:	-9.25(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(CNC(=O)C2=CC3=C(C=C2)N=CS3)O

DOS

IR

Vibrations