Geometry & MOs

Info

ID:

107242

PubChem CID:

50195969

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-227.18

Dipole, Da:

9.73

IP(EA), eV:

 -8.49(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5CCCCC5)Cl)C

DOS

IR

Vibrations