Geometry & MOs

Info

ID:	396082
PubChem CID:	135027363
Reduced:	ClN3O5C15H18 (1)
Stoich.:	AB3C5D15E18 (1)
Weight, g/mol:	399.04298
ΔH_f, kcal/mol:	-141.6
Dipole, Da:	5.18
IP(EA), eV:	-9.08(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-5-bromo-1-methyl-3-(nitromethyl)-2-oxoindol-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@]1(C2=C(C=CC(=C2)Cl)N(C1=O)C)C[N+](=O)[O-]

DOS

IR

Vibrations