Geometry & MOs

Info

ID:	63309
PubChem CID:	26750561
Reduced:	SN2O6C19H22 (1)
Stoich.:	AB2C6D19E22 (1)
Weight, g/mol:	401.06417
ΔH_f, kcal/mol:	-202.27
Dipole, Da:	6.01
IP(EA), eV:	-9.11(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations