Geometry & MOs

Info

ID:

100170

PubChem CID:

50058993

Reduced:

ClF2O5N6C37H43 (1)

Stoich.:

AB2C5D6E37F43 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-278.9

Dipole, Da:

12.74

IP(EA), eV:

 -9.02(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations