Geometry & MOs

Info

ID:

104534

PubChem CID:

50104515

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

617.2013

ΔHf, kcal/mol:

-207.46

Dipole, Da:

11.38

IP(EA), eV:

 -8.93(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations