Geometry & MOs

Info

ID:

180854

PubChem CID:

76694695

Reduced:

N3O5C29H37 (1)

Stoich.:

A3B5C29D37 (1)

Weight, g/mol:

545.179815

ΔHf, kcal/mol:

-67.1

Dipole, Da:

6.62

IP(EA), eV:

 -4.5(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrobenzoyl) 6-(1-hydroxyethyl)-4-methyl-3-[[5-(methylamino)naphthalen-1-yl]oxymethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1COC3=CC=CC4=C(C=CC=C43)C[N+]56CC[N+](CC5)(CC6)C)C(=O)O)C(C)O

DOS

IR

Vibrations