Geometry & MOs

Info

ID:	396867
PubChem CID:	135029363
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	414.215472
ΔH_f, kcal/mol:	-5.83
Dipole, Da:	2.55
IP(EA), eV:	-8.62(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carbonyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CSC1=NC2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations