Geometry & MOs

Info

ID:

100194

PubChem CID:

50059111

Reduced:

ClF2N6O6C38H43 (1)

Stoich.:

AB2C6D6E38F43 (1)

Weight, g/mol:

764.326453

ΔHf, kcal/mol:

-305.87

Dipole, Da:

4.11

IP(EA), eV:

 -9.21(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(cyclohexylcarbamoyl)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

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations