Geometry & MOs

Info

ID:

180857

PubChem CID:

76694698

Reduced:

N3O5C29H39 (1)

Stoich.:

A3B5C29D39 (1)

Weight, g/mol:

510.296796

ΔHf, kcal/mol:

-141.89

Dipole, Da:

11.7

IP(EA), eV:

 -8.34(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[5-[[2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]methoxy]naphthalen-1-yl]ethyl-[2-(dimethylamino)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1COC3=CC=CC4=C(C=CC=C43)CC[N+](C)(C)CCN(C)C)C(=O)[O-])C(C)O

DOS

IR

Vibrations