Geometry & MOs

Info

ID:

421331

PubChem CID:

135115792

Reduced:

N6O7C39H44 (1)

Stoich.:

A6B7C39D44 (1)

Weight, g/mol:

767.321351

ΔHf, kcal/mol:

-210.11

Dipole, Da:

9.83

IP(EA), eV:

 -8.41(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N1)O)CC3=CNC4=CC=CC=C43)C(=O)CCC5=CC(=CC=C5)OC)C6=CC=CC=C6

DOS

IR

Vibrations