Geometry & MOs

Info

ID:

114595

PubChem CID:

50489506

Reduced:

F2O5N6C33H36 (1)

Stoich.:

A2B5C6D33E36 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-262.2

Dipole, Da:

8.67

IP(EA), eV:

 -8.96(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamidoanilino)-1-oxopropan-2-yl]-1-[1-[3-[(3,4-difluorophenyl)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)NC(C)C(=O)NC3=CC=CC=C3C(=O)N)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations