Geometry & MOs

Info

ID:

168288

PubChem CID:

74945266

Reduced:

Cl2N10O22C69H82 (1)

Stoich.:

A2B10C22D69E82 (1)

Weight, g/mol:

560.28753

ΔHf, kcal/mol:

-829.44

Dipole, Da:

7.5

IP(EA), eV:

 -7.44(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-pyrrolidin-2-yl-13-[4-[2-pyrrolidin-2-yl-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene

Drug info:

PubChemData

Smile

CCCCCCNC(=O)NC(=O)CC1C(=O)NC2C3=CC(=C(C(=C3)OC4=C(C=C(C=C4)C(C(C(=O)N1)NC(=O)C(CC(C)C)NC)O)Cl)OC5C(C(C(C(O5)CO)O)O)O)OC6=C(C=C(C=C6)C(C7C(=O)NC(C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)C(C(=O)N7)NC2=O)O)C(=O)NC(C)C)O)Cl

DOS

IR

Vibrations