Geometry & MOs

Info

ID:

115949

PubChem CID:

50540955

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-228.21

Dipole, Da:

3.88

IP(EA), eV:

 -9.19(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[4-fluoro-3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)NC4CCCCC4C)Cl

DOS

IR

Vibrations