Geometry & MOs

Info

ID:

113168

PubChem CID:

50433255

Reduced:

ClO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-158.79

Dipole, Da:

5.83

IP(EA), eV:

 -8.81(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)N(C)C)C

DOS

IR

Vibrations