Geometry & MOs

Info

ID:

113139

PubChem CID:

50432111

Reduced:

ClFO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-219.31

Dipole, Da:

11.79

IP(EA), eV:

 -8.95(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C(=O)N(C)C)Cl)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations