Geometry & MOs

Info

ID:

97534

PubChem CID:

50032382

Reduced:

ClF2O5N6C38H43 (1)

Stoich.:

AB2C5D6E38F43 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-278.16

Dipole, Da:

8.44

IP(EA), eV:

 -9.01(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations