Geometry & MOs

Info

ID:

105173

PubChem CID:

50106548

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

632.275861

ΔHf, kcal/mol:

-225.53

Dipole, Da:

2.68

IP(EA), eV:

 -8.88(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[2-fluoro-5-[(4-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations