Geometry & MOs

Info

ID:	396081
PubChem CID:	135027362
Reduced:	ClN3O5C15H18 (1)
Stoich.:	AB3C5D15E18 (1)
Weight, g/mol:	355.093498
ΔH_f, kcal/mol:	-142.15
Dipole, Da:	5.44
IP(EA), eV:	-9.11(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1(C2=C(C=CC(=C2)Cl)N(C1=O)C)C[N+](=O)[O-]

DOS

IR

Vibrations