Geometry & MOs

Info

ID:	396051
PubChem CID:	135027294
Reduced:	NS2O4F6C20H29 (1)
Stoich.:	AB2C4D6E20F29 (1)
Weight, g/mol:	519.15947
ΔH_f, kcal/mol:	-473.76
Dipole, Da:	5.75
IP(EA), eV:	-8.27(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3-benzylsulfanyl-5-chloro-2-oxo-1H-indol-3-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Drug info:

PubChemData

Smile

CCCCCN(CCCCC)C1=CC=C(C=C1)CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations