Geometry & MOs

Info

ID:	396069
PubChem CID:	135027347
Reduced:	ClN3O6C21H28 (1)
Stoich.:	AB3C6D21E28 (1)
Weight, g/mol:	469.221286
ΔH_f, kcal/mol:	-238.65
Dipole, Da:	3.78
IP(EA), eV:	-8.84(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(2-oxo-3-phenylmethoxy-1H-indol-3-yl)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)OCC=C

DOS

IR

Vibrations