Geometry & MOs

Info

ID:	193890
PubChem CID:	78450973
Reduced:	FN3O5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	446.13704
ΔH_f, kcal/mol:	-194.99
Dipole, Da:	3.4
IP(EA), eV:	-8.5(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-(3-methoxy-2-propoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2C(=O)C(CNC2=O)C(=O)NC3=CC(=CC=C3)F)OC

DOS

IR

Vibrations