Geometry & MOs

Info

ID:

109861

PubChem CID:

50300051

Reduced:

ClF2O5N6C35H39 (1)

Stoich.:

AB2C5D6E35F39 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-276.53

Dipole, Da:

12.51

IP(EA), eV:

 -8.97(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC(C)C

DOS

IR

Vibrations