Geometry & MOs

Info

ID:

115868

PubChem CID:

50537070

Reduced:

ClFO4N5C30H37 (1)

Stoich.:

ABC4D5E30F37 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-212.3

Dipole, Da:

8.49

IP(EA), eV:

 -8.85(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C)F)Cl

DOS

IR

Vibrations