Geometry & MOs

Info

ID:	79711
PubChem CID:	49830080
Reduced:	SN3O3C21H33 (1)
Stoich.:	AB3C3D21E33 (1)
Weight, g/mol:	414.053798
ΔH_f, kcal/mol:	-137.73
Dipole, Da:	8.3
IP(EA), eV:	-8.96(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations