Geometry & MOs

Info

ID:

106689

PubChem CID:

50172729

Reduced:

ClN6O6C35H45 (1)

Stoich.:

AB6C6D35E45 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-251.4

Dipole, Da:

6.36

IP(EA), eV:

 -9.25(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(butan-2-ylcarbamoyl)-3-chloroanilino]-2-oxoethyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations