Geometry & MOs

Info

ID:

423091

PubChem CID:

135118933

Reduced:

ON2C10H15 (2)

Stoich.:

AB2C10D15 (2)

Weight, g/mol:

719.394122

ΔHf, kcal/mol:

-69.78

Dipole, Da:

5.89

IP(EA), eV:

 -9.07(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,13S,19S)-4-benzyl-15-[2-[cyclopentyl(methyl)amino]acetyl]-7-methyl-19-(2-methylpropyl)-13-propan-2-yl-21-thia-3,6,8,9,12,15,18,23-octazatricyclo[18.2.1.05,9]tricosa-1(22),5,7,20(23)-tetraene-2,11,17-trione

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC(=O)N2CCCN(CC2)C(=O)CC3=CN=CC=C3

DOS

IR

Vibrations