Geometry & MOs

Info

ID:

93305

PubChem CID:

49993106

Reduced:

FO5N6C41H55 (1)

Stoich.:

AB5C6D41E55 (1)

Weight, g/mol:

754.385412

ΔHf, kcal/mol:

-282.13

Dipole, Da:

10.7

IP(EA), eV:

 -8.7(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-fluoro-3-[(4-methoxybenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6CCCCC6)F

DOS

IR

Vibrations