Geometry & MOs

Info

ID:	174638
PubChem CID:	75799832
Reduced:	SN2O4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-77.36
Dipole, Da:	7.17
IP(EA), eV:	-8.3(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(2-methoxy-4-prop-1-enylphenoxy)acetate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations