Geometry & MOs

Info

ID:

118114

PubChem CID:

50629399

Reduced:

BrCl2O4N5C28H32 (1)

Stoich.:

AB2C4D5E28F32 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-150.63

Dipole, Da:

6.17

IP(EA), eV:

 -9.07(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[3-[(2-fluorobenzoyl)amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Br)Cl

DOS

IR

Vibrations