Geometry & MOs

Info

ID:

12098

PubChem CID:

130187

Reduced:

N5O10C24H27 (1)

Stoich.:

A5B10C24D27 (1)

Weight, g/mol:

545.175792

ΔHf, kcal/mol:

-302.15

Dipole, Da:

4.19

IP(EA), eV:

 -8.86(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 5-[(4S,6S,7R,8S)-11-amino-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-5-yl]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C(=O)CCCC(=O)ON5C(=O)CCC5=O)N

DOS

IR

Vibrations