Geometry & MOs

Info

ID:

105209

PubChem CID:

50106652

Reduced:

FO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-216.36

Dipole, Da:

9.24

IP(EA), eV:

 -8.82(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=CC=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations