Geometry & MOs

Info

ID:

114771

PubChem CID:

50496411

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-279.31

Dipole, Da:

6.97

IP(EA), eV:

 -8.83(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,4-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations