Geometry & MOs

Info

ID:

107316

PubChem CID:

50198772

Reduced:

ClF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-279.32

Dipole, Da:

10.29

IP(EA), eV:

 -9.03(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations