Geometry & MOs

Info

ID:

423661

PubChem CID:

135119956

Reduced:

N7O8C42H55 (1)

Stoich.:

A7B8C42D55 (1)

Weight, g/mol:

757.337001

ΔHf, kcal/mol:

-251.88

Dipole, Da:

8.82

IP(EA), eV:

 -8.1(-1.05)

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-(2-pyridin-3-ylacetyl)-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]2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3C[C@@H](CC3C(=O)N1)NC(=O)/C=C/C4=CC=CC=C4)CC5=CC=CC=C5)[C@@H](C)O)CC(C)C

DOS

IR

Vibrations