Geometry & MOs

Info

ID:

214449

PubChem CID:

85083053

Reduced:

BClP3N5C11O11H16 (1)

Stoich.:

ABC3D5E11F11G16 (1)

Weight, g/mol:

535.13795

ΔHf, kcal/mol:

-457.02

Dipole, Da:

13.75

IP(EA), eV:

 -9.02(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19,26-diamino-28-hydroxy-7-methoxy-5-methyl-21,24-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,19,22,25,27-octaen-9,13-diyne-6-carboxylic acid

Drug info:

PubChemData

Smile

[B]P(=O)(OCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)N)O)O)OP(=O)(CP(=O)(O)O)O

DOS

IR

Vibrations