Geometry & MOs

Info

ID:

415310

PubChem CID:

135088304

Reduced:

N6O7C32H46 (1)

Stoich.:

A6B7C32D46 (1)

Weight, g/mol:

602.271364

ΔHf, kcal/mol:

-269.52

Dipole, Da:

6.3

IP(EA), eV:

 -8.87(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-8,14-dimethyl-20-[2-[4-(tetrazol-1-yl)phenoxy]acetyl]-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@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=C(OC=N3)C

DOS

IR

Vibrations