Geometry & MOs

Info

ID:

307944

PubChem CID:

125310834

Reduced:

N3O6C29H51 (1)

Stoich.:

A3B6C29D51 (1)

Weight, g/mol:

427.049047

ΔHf, kcal/mol:

-317.04

Dipole, Da:

5.19

IP(EA), eV:

 -8.43(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,11S,12R,16R)-11-acetyl-14-(2,4-dichlorophenyl)-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

Drug info:

PubChemData

Smile

CC(C)[C@H](CC1=CC(=C(C=C1)O)OCCCOC)C[C@@H]([C@H](C[C@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N

DOS

IR

Vibrations