Geometry & MOs

Info

ID:

102594

PubChem CID:

50068539

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

712.257624

ΔHf, kcal/mol:

-243.8

Dipole, Da:

10.49

IP(EA), eV:

 -8.85(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamido-3-chloroanilino)-1-oxopropan-2-yl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations