Geometry & MOs

Info

ID:

422030

PubChem CID:

135117036

Reduced:

N7O7C35H51 (1)

Stoich.:

A7B7C35D51 (1)

Weight, g/mol:

774.363551

ΔHf, kcal/mol:

-316.72

Dipole, Da:

9.44

IP(EA), eV:

 -9.16(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-19-(2-methylpropyl)-15-[3-(2-methylpyrazol-3-yl)propanoyl]-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

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CCC3=C(NC(=O)N=C3C)C)C(C)C

DOS

IR

Vibrations