Geometry & MOs

Info

ID:

393012

PubChem CID:

135018907

Reduced:

N3O7C18H29 (1)

Stoich.:

A3B7C18D29 (1)

Weight, g/mol:

474.087016

ΔHf, kcal/mol:

-270.48

Dipole, Da:

2.29

IP(EA), eV:

 -10.08(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,11R,12S)-12-(2-chlorophenyl)-21-oxo-9,13,22-trioxapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),3,5,7,15,17,19-heptaene-11-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)[C@]1([C@@H]2[C@H]([C@H](O1)[C@@H]3COC(O3)(C)C)OC(O2)(C)C)N=[N+]=[N-]

DOS

IR

Vibrations