Geometry & MOs

Info

ID:

115806

PubChem CID:

50534627

Reduced:

ClN5O5C31H42 (1)

Stoich.:

AB5C5D31E42 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-213.28

Dipole, Da:

5.8

IP(EA), eV:

 -8.9(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations