Geometry & MOs

Info

ID:

110103

PubChem CID:

50309661

Reduced:

FO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

542.204446

ΔHf, kcal/mol:

-170.96

Dipole, Da:

3.88

IP(EA), eV:

 -8.57(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-carbamoyl-4-chloroanilino)-2-oxoethyl]-1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)F)C(=O)N

DOS

IR

Vibrations