Geometry & MOs

Info

ID:

104014

PubChem CID:

50086906

Reduced:

ClO5N6C41H43 (1)

Stoich.:

AB5C6D41E43 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-148.98

Dipole, Da:

6.74

IP(EA), eV:

 -8.51(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations