Geometry & MOs

Info

ID:

423210

PubChem CID:

135119122

Reduced:

O7N8C35H52 (1)

Stoich.:

A7B8C35D52 (1)

Weight, g/mol:

588.230803

ΔHf, kcal/mol:

-316.03

Dipole, Da:

4.91

IP(EA), eV:

 -8.55(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-20-methoxy-11-propan-2-yl-15-[6-(trifluoromethyl)pyridine-3-carbonyl]-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)CN(C)C)O)CC(C)C)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations