Geometry & MOs

Info

ID:	63823
PubChem CID:	26759260
Reduced:	NSO3F5H16C19 (1)
Stoich.:	ABC3D5E16F19 (1)
Weight, g/mol:	426.103871
ΔH_f, kcal/mol:	-356.3
Dipole, Da:	6.27
IP(EA), eV:	-9.27(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)SC(F)F)OC(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations