Geometry & MOs

Info

ID:

114951

PubChem CID:

50503189

Reduced:

FCl2O4N5C33H36 (1)

Stoich.:

AB2C4D5E33F36 (1)

Weight, g/mol:

655.212838

ΔHf, kcal/mol:

-190.4

Dipole, Da:

8.08

IP(EA), eV:

 -8.9(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C(=CC=C3)Cl)Cl)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations