Geometry & MOs

Info

ID:

118084

PubChem CID:

50628257

Reduced:

ClFO5N6C33H36 (1)

Stoich.:

ABC5D6E33F36 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-221.24

Dipole, Da:

3.7

IP(EA), eV:

 -8.75(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)F)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations