Geometry & MOs

Info

ID:

110359

PubChem CID:

50321842

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

568.280946

ΔHf, kcal/mol:

-193.05

Dipole, Da:

12.53

IP(EA), eV:

 -8.78(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-fluoroanilino)-1-oxopropan-2-yl]-1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)NC(C)C

DOS

IR

Vibrations