Geometry & MOs

Info

ID:	427408
PubChem CID:	135158508
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	535.248249
ΔH_f, kcal/mol:	-3.66
Dipole, Da:	3.94
IP(EA), eV:	-8.62(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(butoxycarbonylamino)-3-[1-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl]indol-3-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)COC2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations