Geometry & MOs

Info

ID:

233314

PubChem CID:

89649988

Reduced:

N3O4C20H27 (1)

Stoich.:

A3B4C20D27 (1)

Weight, g/mol:

557.22051

ΔHf, kcal/mol:

-126.71

Dipole, Da:

4.14

IP(EA), eV:

 -8.22(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (4R)-4-[2-(10-chloro-9,11-dimethyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene-4-carbonyl)-5-fluorophenoxy]azepane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)(C(=O)N2CCN(C3=CC=CC=C32)C4CC4)O

DOS

IR

Vibrations