Geometry & MOs

Info

ID:

334063

PubChem CID:

127252615

Reduced:

ClSN2O7C22H27 (1)

Stoich.:

ABC2D7E22F27 (1)

Weight, g/mol:

460.17467

ΔHf, kcal/mol:

-260.38

Dipole, Da:

9.52

IP(EA), eV:

 -9.06(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[6-[2-(1H-imidazol-5-yl)ethyl]-14-methoxy-5-methyl-7-oxo-2-oxa-6,18-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),3(8),4,11,13,15,17-heptaen-9-yl]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4CCN(CC4)S(=O)(=O)C

DOS

IR

Vibrations