Geometry & MOs

Info

ID:	46366
PubChem CID:	10524094
Reduced:	SN4O4C17H28 (1)
Stoich.:	AB4C4D17E28 (1)
Weight, g/mol:	384.262422
ΔH_f, kcal/mol:	-103.09
Dipole, Da:	7.46
IP(EA), eV:	-9.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,5S)-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C[C@@]12CC[C@@H](C1(C)C)C[C@H]2OC(=O)C(=C)N=[N+]=[N-]

DOS

IR

Vibrations