Geometry & MOs

Info

ID:	64614
PubChem CID:	29203292
Reduced:	FSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	397.188923
ΔH_f, kcal/mol:	-176.51
Dipole, Da:	6.66
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-anilino-1-oxopropan-2-yl] (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations