Geometry & MOs

Info

ID:

111402

PubChem CID:

50365272

Reduced:

ClO5N6C33H41 (1)

Stoich.:

AB5C6D33E41 (1)

Weight, g/mol:

756.376597

ΔHf, kcal/mol:

-206.44

Dipole, Da:

4.95

IP(EA), eV:

 -8.7(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-[(2-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N)C(=O)N5CCCCC5

DOS

IR

Vibrations