Geometry & MOs

Info

ID:	63266
PubChem CID:	26750412
Reduced:	SN3O4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	457.090385
ΔH_f, kcal/mol:	-122.34
Dipole, Da:	4.96
IP(EA), eV:	-9.19(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-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=CC(=O)NC4=CC=CC=C43

DOS

IR

Vibrations