Geometry & MOs

Info

ID:

422355

PubChem CID:

135117684

Reduced:

N2O3C17H22 (1)

Stoich.:

A2B3C17D22 (1)

Weight, g/mol:

776.354048

ΔHf, kcal/mol:

-113.91

Dipole, Da:

2.7

IP(EA), eV:

 -9.22(-0.7)

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-(5-methyltetrazol-1-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

CN(CC1=CC=CC=C1C(=O)O)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations