Geometry & MOs

Info

ID:

417860

PubChem CID:

135102924

Reduced:

N2O3C23H28 (1)

Stoich.:

A2B3C23D28 (1)

Weight, g/mol:

746.368636

ΔHf, kcal/mol:

-90.94

Dipole, Da:

3.87

IP(EA), eV:

 -8.93(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-15-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-19-(2-methylpropyl)-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCCC2)C(=O)N[C@@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations