Geometry & MOs

Info

ID:

120190

PubChem CID:

50717514

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-219.15

Dipole, Da:

8.1

IP(EA), eV:

 -8.73(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4)F

DOS

IR

Vibrations