Geometry & MOs

Info

ID:	188493
PubChem CID:	77723741
Reduced:	O3H16C17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	642.216651
ΔH_f, kcal/mol:	-66.72
Dipole, Da:	1.83
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)-2-[1-[4-[4-(ethylcarbamoyl)phenyl]sulfonylphenyl]propan-2-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC=C(O)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations