Geometry & MOs

Info

ID:

118543

PubChem CID:

50646346

Reduced:

ClF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

672.259374

ΔHf, kcal/mol:

-261.35

Dipole, Da:

7.15

IP(EA), eV:

 -9.0(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations