Geometry & MOs

Info

ID:

115356

PubChem CID:

50520023

Reduced:

Cl2O4N5H27C28 (1)

Stoich.:

A2B4C5D27E28 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-118.66

Dipole, Da:

8.75

IP(EA), eV:

 -8.63(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations