Geometry & MOs

Info

ID:

120305

PubChem CID:

50721842

Reduced:

ClF2O3N4C26H31 (1)

Stoich.:

AB2C3D4E26F31 (1)

Weight, g/mol:

641.298012

ΔHf, kcal/mol:

-212.75

Dipole, Da:

3.73

IP(EA), eV:

 -8.99(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2,4-dimethoxyphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations