Geometry & MOs

Info

ID:

107884

PubChem CID:

50222714

Reduced:

ClO5N6C28H35 (1)

Stoich.:

AB5C6D28E35 (1)

Weight, g/mol:

634.271525

ΔHf, kcal/mol:

-201.69

Dipole, Da:

6.86

IP(EA), eV:

 -8.98(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-carbamoyl-2-methylanilino)-3-oxopropyl]-1-[2-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C(=O)N)Cl

DOS

IR

Vibrations