Geometry & MOs

Info

ID:

92478

PubChem CID:

49986961

Reduced:

ClN6O6C38H51 (1)

Stoich.:

AB6C6D38E51 (1)

Weight, g/mol:

702.410483

ΔHf, kcal/mol:

-265.33

Dipole, Da:

9.06

IP(EA), eV:

 -8.7(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclohexanecarbonylamino)-4-methoxyanilino]-3-oxopropyl]-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations