Geometry & MOs

Info

ID:

116862

PubChem CID:

50578440

Reduced:

Cl2O5N6C36H46 (1)

Stoich.:

A2B5C6D36E46 (1)

Weight, g/mol:

738.274417

ΔHf, kcal/mol:

-217.2

Dipole, Da:

9.27

IP(EA), eV:

 -8.99(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCC(CC5)C

DOS

IR

Vibrations