Geometry & MOs

Info

ID:	141216
PubChem CID:	52840110
Reduced:	SN3O5C17H25 (1)
Stoich.:	AB3C5D17E25 (1)
Weight, g/mol:	466.224991
ΔH_f, kcal/mol:	-146.78
Dipole, Da:	6.4
IP(EA), eV:	-9.43(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-[(2R)-1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperidin-2-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N[C@H]3CCCC[C@@H]3O)[N+](=O)[O-]

DOS

IR

Vibrations