Geometry & MOs

Info

ID:

115855

PubChem CID:

50536758

Reduced:

ClFO5N6C38H46 (1)

Stoich.:

ABC5D6E38F46 (1)

Weight, g/mol:

724.295152

ΔHf, kcal/mol:

-244.79

Dipole, Da:

3.85

IP(EA), eV:

 -8.9(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NCC(C)C)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations