Geometry & MOs

Info

ID:

448913

PubChem CID:

135294462

Reduced:

OSF2N5C32H47 (1)

Stoich.:

ABC2D5E32F47 (1)

Weight, g/mol:

488.329731

ΔHf, kcal/mol:

-132.83

Dipole, Da:

4.67

IP(EA), eV:

 -8.33(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[2-[ethanimidoyl(2-methylpropanimidoyl)amino]butyl]pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)propyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC(C)C(=N)N(C1CC2CCC(C1)N2CCC(C3=CSCC4=C3C=CCC4)NC(=O)C5CCC(CC5)(F)F)C(=N)C

DOS

IR

Vibrations