Geometry & MOs

Info

ID:	79648
PubChem CID:	49829842
Reduced:	ClSO2N4C19H22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	401.183838
ΔH_f, kcal/mol:	-14.34
Dipole, Da:	16.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.929990
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate

Drug info:

PubChemData

Smile

CC(CNC1=NC2=C(C3=C(S2)C[NH+](CC3)C)C(=O)N1C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations