Geometry & MOs

Info

ID:	280742
PubChem CID:	103851057
Reduced:	SN2O4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	260.09277
ΔH_f, kcal/mol:	-163.65
Dipole, Da:	3.83
IP(EA), eV:	-9.51(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CCCNC(=O)C1=CC=CS1

DOS

IR

Vibrations