Geometry & MOs

Info

ID:	390873
PubChem CID:	135001388
Reduced:	SO2N3C11H21 (1)
Stoich.:	AB2C3D11E21 (1)
Weight, g/mol:	371.190403
ΔH_f, kcal/mol:	-74.39
Dipole, Da:	3.8
IP(EA), eV:	-8.41(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-formyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCN(CCN1N=S)C(=O)OC(C)(C)C

DOS

IR

Vibrations