Geometry & MOs

Info

ID:	280743
PubChem CID:	103851061
Reduced:	ClN2O3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	321.00343
ΔH_f, kcal/mol:	-123.27
Dipole, Da:	2.47
IP(EA), eV:	-9.08(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NC(CCO)COC)Cl

DOS

IR

Vibrations