Geometry & MOs

Info

ID:	68947
PubChem CID:	46513441
Reduced:	SN2O3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	-28.16
Dipole, Da:	4.69
IP(EA), eV:	-8.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations