Geometry & MOs

Info

ID:

104199

PubChem CID:

50096600

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-229.56

Dipole, Da:

8.34

IP(EA), eV:

 -8.69(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations