Geometry & MOs

Info

ID:	396084
PubChem CID:	135027365
Reduced:	N3O5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	397.163771
ΔH_f, kcal/mol:	-136.39
Dipole, Da:	5.84
IP(EA), eV:	-9.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC([C@]1(C2=CC=CC=C2N(C1=O)C)NC(=O)OC(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations