Geometry & MOs

Info

ID:

404219

PubChem CID:

135065488

Reduced:

NOC20H25 (1)

Stoich.:

ABC20D25 (1)

Weight, g/mol:

425.133533

ΔHf, kcal/mol:

33.26

Dipole, Da:

0.54

IP(EA), eV:

 -9.26(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-amino-20-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-12-oxa-14,16,18,20-tetrazapentacyclo[11.4.3.01,13.02,11.03,8]icosa-2(11),3,5,7,9,14-hexaene-17,19-dione

Drug info:

PubChemData

Smile

CCCC(C=C)ON(CC1=CC=CC=C1)CC2=CC=CC=C2

DOS

IR

Vibrations