Geometry & MOs

Info

ID:

66350

PubChem CID:

46504404

Reduced:

ClN4O5H27C33 (1)

Stoich.:

AB4C5D27E33 (1)

Weight, g/mol:

463.174336

ΔHf, kcal/mol:

-22.19

Dipole, Da:

2.76

IP(EA), eV:

 -8.25(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[12-(4-ethoxycarbonylpiperidin-1-yl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCOC2=CC=C(C=C2)Cl)C3=CC(=C4C5=C(C6=CC=CC=C6C4=O)ON=C35)NC7=CC8=C(C=C7)OCO8

DOS

IR

Vibrations