Geometry & MOs

Info

ID:	204521
PubChem CID:	79977066
Reduced:	BrSO4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-92.13
Dipole, Da:	2.54
IP(EA), eV:	-9.06(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)C2=C(C(=C(C=C2)OC)OC)OC)Br

DOS

IR

Vibrations