Geometry & MOs

Info

ID:

15492

PubChem CID:

442580

Reduced:

N5O6C32H47 (1)

Stoich.:

A5B6C32D47 (1)

Weight, g/mol:

597.352634

ΔHf, kcal/mol:

-236.57

Dipole, Da:

6.33

IP(EA), eV:

 -8.86(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-(dimethylamino)-N-[(2S,3S)-1-[(3S,7S,13S)-19-hydroxy-8,14-dioxo-2-oxa-6,9,15-triazatetracyclo[16.2.2.03,7.09,13]docosa-1(20),16,18,21-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C(=O)N3CCC[C@H]3C(=O)NC=CC4=C(C=C(O2)C=C4)O)NC(=O)[C@H]([C@@H](C)CC)N(C)C

DOS

IR

Vibrations