Geometry & MOs

Info

ID:

97719

PubChem CID:

50034178

Reduced:

ClF2O5N6C41H43 (1)

Stoich.:

AB2C5D6E41F43 (1)

Weight, g/mol:

758.279503

ΔHf, kcal/mol:

-253.93

Dipole, Da:

4.18

IP(EA), eV:

 -8.53(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C)Cl

DOS

IR

Vibrations