Geometry & MOs

Info

ID:	193641
PubChem CID:	78417509
Reduced:	ClNSO4H24C26 (1)
Stoich.:	ABCD4E24F26 (1)
Weight, g/mol:	606.272987
ΔH_f, kcal/mol:	-89.04
Dipole, Da:	6.89
IP(EA), eV:	-9.24(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylcyclohexyl) 5-[2-acetamido-3-(2-hydroxyethylamino)-3-oxopropyl]-2-phenyl-7-(2-phenylethynyl)-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(N(C1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations