Geometry & MOs

Info

ID:	64010
PubChem CID:	26759681
Reduced:	SF3N3O5C21H26 (1)
Stoich.:	AB3C3D5E21F26 (1)
Weight, g/mol:	391.118651
ΔH_f, kcal/mol:	-334.97
Dipole, Da:	11.76
IP(EA), eV:	-9.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)/C=C/C(=O)C(F)(F)F)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations