Geometry & MOs

Info

ID:	312083
PubChem CID:	126602648
Reduced:	Cl2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	532.178041
ΔH_f, kcal/mol:	-120.65
Dipole, Da:	2.67
IP(EA), eV:	-8.55(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(2-hydroxyethyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)Cl)OCC2=C(C=CC=C2Cl)OC(=O)CC

DOS

IR

Vibrations