Geometry & MOs

Info

ID:	145115
PubChem CID:	53465405
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	549.243913
ΔH_f, kcal/mol:	-85.16
Dipole, Da:	5.06
IP(EA), eV:	-9.32(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-4-[2,2-bis(4-fluorophenyl)ethylamino]-1-(1,3-dihydroisoindol-2-yl)-1,4-dioxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)COC2=CC=C(C=C2)C(=O)OC)C

DOS

IR

Vibrations