Geometry & MOs

Info

ID:	61322
PubChem CID:	26708188
Reduced:	SN2F3O5H21C22 (1)
Stoich.:	AB2C3D5E21F22 (1)
Weight, g/mol:	379.139528
ΔH_f, kcal/mol:	-324.37
Dipole, Da:	8.78
IP(EA), eV:	-10.12(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dimethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)C(F)(F)F)NC(=O)[C@@H](CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations