Geometry & MOs

Info

ID:

180855

PubChem CID:

76694696

Reduced:

N3O8H27C29 (1)

Stoich.:

A3B8C27D29 (1)

Weight, g/mol:

834.298647

ΔHf, kcal/mol:

-150.98

Dipole, Da:

8.4

IP(EA), eV:

 -8.13(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(4-nitrobenzoyl) 4-methyl-3-[[5-[[1-[2-[(4-nitrobenzoyl)oxycarbonylamino]ethyl]pyrrolidin-1-ium-1-yl]methyl]naphthalen-1-yl]oxymethyl]-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1COC3=CC=CC4=C3C=CC=C4NC)C(=O)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C(C)O

DOS

IR

Vibrations