Geometry & MOs

Info

ID:

215158

PubChem CID:

85084285

Reduced:

FNO9C41H62 (1)

Stoich.:

ABC9D41E62 (1)

Weight, g/mol:

731.238973

ΔHf, kcal/mol:

-427.74

Dipole, Da:

6.1

IP(EA), eV:

 -8.85(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(6-acetamidopyridin-3-yl)-N-[[1-[2,4-diacetamido-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]pyrrol-2-yl]methyl]but-2-enamide;dihydrochloride

Drug info:

PubChemData

Smile

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OCCCCC3=CC=CC=C3)N(C)C)O)CC=O)C)C)CF

DOS

IR

Vibrations