Geometry & MOs

Info

ID:

114982

PubChem CID:

50504632

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

632.251396

ΔHf, kcal/mol:

-228.94

Dipole, Da:

8.37

IP(EA), eV:

 -8.71(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[1-[3-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations