Geometry & MOs

Info

ID:	36863
PubChem CID:	8013895
Reduced:	NF3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	403.141973
ΔH_f, kcal/mol:	-269.0
Dipole, Da:	2.52
IP(EA), eV:	-9.04(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations