Geometry & MOs

Info

ID:

47250

PubChem CID:

10530949

Reduced:

N6O6C29H34 (1)

Stoich.:

A6B6C29D34 (1)

Weight, g/mol:

562.13044

ΔHf, kcal/mol:

-186.51

Dipole, Da:

8.97

IP(EA), eV:

 -9.47(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,6S,7R,8S)-7-methoxy-5,12-dimethyl-11-[2-[(5-nitropyridin-2-yl)disulfanyl]ethylamino]-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Drug info:

PubChemData

Smile

CC(=O)N[C@](C)(C1=CC=CC=C1)C(=O)N2CC[C@H]2C(=O)N[C@H]3CCCN(C3=O)/C(=N/C(=O)OCC4=CC=CC=C4)/N

DOS

IR

Vibrations