Geometry & MOs

Info

ID:

106793

PubChem CID:

50176797

Reduced:

F2O5N6C42H52 (1)

Stoich.:

A2B5C6D42E52 (1)

Weight, g/mol:

754.421797

ΔHf, kcal/mol:

-297.05

Dipole, Da:

4.66

IP(EA), eV:

 -8.86(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-[(5-fluoro-2-methylphenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations