Geometry & MOs

Info

ID:	395220
PubChem CID:	135024946
Reduced:	SN2O4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	279.219829
ΔH_f, kcal/mol:	-1.19
Dipole, Da:	4.12
IP(EA), eV:	-9.6(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,7aR)-1-butan-2-yl-2,4,5,6,7,7a-hexahydroindole-2-carboxylate

Drug info:

PubChemData

Smile

C1C=CC(N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations