Geometry & MOs

Info

ID:

106375

PubChem CID:

50160700

Reduced:

ClO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-210.21

Dipole, Da:

16.46

IP(EA), eV:

 -8.48(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[4-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCCCC5

DOS

IR

Vibrations