Geometry & MOs

Info

ID:

105387

PubChem CID:

50107075

Reduced:

FO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

620.255875

ΔHf, kcal/mol:

-251.74

Dipole, Da:

6.08

IP(EA), eV:

 -8.81(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[4-fluoro-3-[(2-fluorobenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)F

DOS

IR

Vibrations