Geometry & MOs

Info

ID:	31819
PubChem CID:	3719650
Reduced:	ClN2O3C30H33 (1)
Stoich.:	AB2C3D30E33 (1)
Weight, g/mol:	495.115018
ΔH_f, kcal/mol:	-48.91
Dipole, Da:	4.43
IP(EA), eV:	-8.47(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)OCC)C5=C(O2)C=CC(=C5)Cl

DOS

IR

Vibrations