Geometry & MOs

Info

ID:

91704

PubChem CID:

49978387

Reduced:

ClN6O6C35H47 (1)

Stoich.:

AB6C6D35E47 (1)

Weight, g/mol:

640.277611

ΔHf, kcal/mol:

-263.58

Dipole, Da:

11.88

IP(EA), eV:

 -8.99(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations