Geometry & MOs

Info

ID:

100267

PubChem CID:

50059607

Reduced:

ClF2O5N6C38H45 (1)

Stoich.:

AB2C5D6E38F45 (1)

Weight, g/mol:

772.295152

ΔHf, kcal/mol:

-282.19

Dipole, Da:

6.06

IP(EA), eV:

 -9.04(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C)Cl

DOS

IR

Vibrations