Geometry & MOs

Info

ID:	155963
PubChem CID:	56368512
Reduced:	ClN3O3H16C20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	457.167142
ΔH_f, kcal/mol:	-26.3
Dipole, Da:	8.87
IP(EA), eV:	-9.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-N-cyclopropyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC(=C(C=C3)N4C=CN=C4)Cl

DOS

IR

Vibrations