Geometry & MOs

Info

ID:

418176

PubChem CID:

135103755

Reduced:

O2N5C22H23 (1)

Stoich.:

A2B5C22D23 (1)

Weight, g/mol:

596.289323

ΔHf, kcal/mol:

27.72

Dipole, Da:

1.19

IP(EA), eV:

 -9.45(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-20-[2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazole-4-carbonyl]-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

CNC(=O)[C@]1(C[C@H]2CC[C@@H]1N2C(=O)C3=CC4=NNN=C4C=C3)CC5=CC=CC=C5

DOS

IR

Vibrations