Geometry & MOs

Info

ID:

326048

PubChem CID:

126686221

Reduced:

N3O7C22H25 (1)

Stoich.:

A3B7C22D25 (1)

Weight, g/mol:

465.130278

ΔHf, kcal/mol:

-236.16

Dipole, Da:

8.3

IP(EA), eV:

 -8.36(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-15-[(1-hydroxypropan-2-ylamino)methyl]-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;hydrochloride

Drug info:

PubChemData

Smile

CC(COC)NCC1=CC2=CC3=C(C=C2N1C)OCCC4=C3NC(=O)C(=C4O)OC(=O)O

DOS

IR

Vibrations