Geometry & MOs

Info

ID:	79685
PubChem CID:	49829978
Reduced:	N4O5C20H29 (1)
Stoich.:	A4B5C20D29 (1)
Weight, g/mol:	408.114378
ΔH_f, kcal/mol:	-141.4
Dipole, Da:	4.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752051
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl] 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(N=C(NC1=O)N2CC[NH+](CC2)C)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations