Geometry & MOs

Info

ID:

97035

PubChem CID:

50026981

Reduced:

ClF2O4N5H32C35 (1)

Stoich.:

AB2C4D5E32F35 (1)

Weight, g/mol:

704.313389

ΔHf, kcal/mol:

-183.08

Dipole, Da:

9.47

IP(EA), eV:

 -8.88(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations