Geometry & MOs

Info

ID:

109544

PubChem CID:

50287600

Reduced:

F2O5N6C40H46 (1)

Stoich.:

A2B5C6D40E46 (1)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-265.21

Dipole, Da:

10.2

IP(EA), eV:

 -8.9(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)N6CCCCC6)C

DOS

IR

Vibrations