Geometry & MOs

Info

ID:

417041

PubChem CID:

135091150

Reduced:

N4O4C19H28 (1)

Stoich.:

A4B4C19D28 (1)

Weight, g/mol:

586.301602

ΔHf, kcal/mol:

-138.58

Dipole, Da:

2.86

IP(EA), eV:

 -9.77(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-20-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=CC=NN3)NC(=O)C4(CC4)C

DOS

IR

Vibrations