Geometry & MOs

Info

ID:

100375

PubChem CID:

50060620

Reduced:

ClFO5N6C42H44 (1)

Stoich.:

ABC5D6E42F44 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-202.07

Dipole, Da:

8.99

IP(EA), eV:

 -8.87(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)NC6=CC=CC=C6C

DOS

IR

Vibrations