Geometry & MOs

Info

ID:	189553
PubChem CID:	77872192
Reduced:	SN2O6C19H20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	523.23185
ΔH_f, kcal/mol:	-191.33
Dipole, Da:	3.91
IP(EA), eV:	-9.7(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[5-benzamido-6-(4-nitrophenyl)-4-oxohexanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(C(=O)C2=CC=CC=C2S1(=O)=O)(C3=COC4CCCCC4C3=O)C(=O)N

DOS

IR

Vibrations