Geometry & MOs

Info

ID:

105217

PubChem CID:

50106668

Reduced:

FO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

620.255875

ΔHf, kcal/mol:

-225.28

Dipole, Da:

8.03

IP(EA), eV:

 -8.66(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations