Geometry & MOs

Info

ID:

104029

PubChem CID:

50086968

Reduced:

FO5N6C41H43 (1)

Stoich.:

AB5C6D41E43 (1)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-180.21

Dipole, Da:

9.72

IP(EA), eV:

 -8.66(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6=CC=CC=C6F

DOS

IR

Vibrations