Geometry & MOs

Info

ID:	396021
PubChem CID:	135027210
Reduced:	ClN3O5C25H30 (1)
Stoich.:	AB3C5D25E30 (1)
Weight, g/mol:	453.226371
ΔH_f, kcal/mol:	-196.91
Dipole, Da:	3.87
IP(EA), eV:	-8.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-5-methyl-2-oxo-3-phenyl-1H-indol-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C1(C2=C(C=CC(=C2)Cl)NC1=O)CC3=CC=CC=C3

DOS

IR

Vibrations