Geometry & MOs

Info

ID:

170940

PubChem CID:

75304068

Reduced:

N4O7H20C24 (1)

Stoich.:

A4B7C20D24 (1)

Weight, g/mol:

492.128114

ΔHf, kcal/mol:

-67.59

Dipole, Da:

9.7

IP(EA), eV:

 -9.81(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-ethyl-19-hydroxy-21-nitro-10-(oxiran-2-ylmethoxyiminomethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2[N+](=O)[O-])C=NOCC=C)O

DOS

IR

Vibrations