Geometry & MOs

Info

ID:

402558

PubChem CID:

135056380

Reduced:

N5O5C35H39 (1)

Stoich.:

A5B5C35D39 (1)

Weight, g/mol:

561.295119

ΔHf, kcal/mol:

-155.64

Dipole, Da:

6.64

IP(EA), eV:

 -8.12(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-8,9,10,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@@H]6C7=C8C(=CC=C7)NC=C8C=C6N(C5)C

DOS

IR

Vibrations