Geometry & MOs

Info

ID:

106469

PubChem CID:

50164463

Reduced:

ClO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

742.360946

ΔHf, kcal/mol:

-200.05

Dipole, Da:

9.08

IP(EA), eV:

 -8.51(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations