Geometry & MOs

Info

ID:

109621

PubChem CID:

50291977

Reduced:

FO4N5C29H30 (1)

Stoich.:

AB4C5D29E30 (1)

Weight, g/mol:

746.283981

ΔHf, kcal/mol:

-158.41

Dipole, Da:

12.47

IP(EA), eV:

 -8.93(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)N

DOS

IR

Vibrations