Geometry & MOs

Info

ID:

427611

PubChem CID:

135160580

Reduced:

Cl2O9C22H26 (1)

Stoich.:

A2B9C22D26 (1)

Weight, g/mol:

551.335922

ΔHf, kcal/mol:

-378.68

Dipole, Da:

4.53

IP(EA), eV:

 -9.41(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-acetamido-N-[[(1S,2S,6R,14R,16R)-5-(cyclopropylmethyl)-11-hydroxy-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]methyl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)OCOC(=O)C1C2C1C(C(C2)OCC3=CC(=C(C=C3)Cl)Cl)C(=O)OCOC

DOS

IR

Vibrations