Geometry & MOs

Info

ID:	63252
PubChem CID:	26750347
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	423.129357
ΔH_f, kcal/mol:	-62.63
Dipole, Da:	3.01
IP(EA), eV:	-9.13(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations