Geometry & MOs

Info

ID:	141217
PubChem CID:	52840593
Reduced:	SN4O5C22H34 (1)
Stoich.:	AB4C5D22E34 (1)
Weight, g/mol:	440.209341
ΔH_f, kcal/mol:	-230.81
Dipole, Da:	7.15
IP(EA), eV:	-9.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-1-[(2R)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidin-2-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1CCCCN1CC(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations