Geometry & MOs

Info

ID:

120390

PubChem CID:

50725339

Reduced:

ClF2O5N6H39C40 (1)

Stoich.:

AB2C5D6E39F40 (1)

Weight, g/mol:

617.240497

ΔHf, kcal/mol:

-227.92

Dipole, Da:

6.06

IP(EA), eV:

 -8.76(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC(=CC=C6)F

DOS

IR

Vibrations