Geometry & MOs

Info

ID:

107833

PubChem CID:

50220262

Reduced:

ClO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

714.390497

ΔHf, kcal/mol:

-198.96

Dipole, Da:

6.19

IP(EA), eV:

 -8.4(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations