Geometry & MOs

Info

ID:

146271

PubChem CID:

53662462

Reduced:

S2N5O7H51C56 (1)

Stoich.:

A2B5C7D51E56 (1)

Weight, g/mol:

289.103576

ΔHf, kcal/mol:

7.95

Dipole, Da:

3.24

IP(EA), eV:

 -8.95(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Drug info:

PubChemData

Smile

CCC#CC=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NOCC(=O)OC(C)(C)C)C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)SC1)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations