Geometry & MOs

Info

ID:

94281

PubChem CID:

49999365

Reduced:

ClO5N6C42H57 (1)

Stoich.:

AB5C6D42E57 (1)

Weight, g/mol:

758.396725

ΔHf, kcal/mol:

-247.76

Dipole, Da:

8.67

IP(EA), eV:

 -8.74(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,6-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6CCCCC6

DOS

IR

Vibrations