Geometry & MOs

Info

ID:

115334

PubChem CID:

50519221

Reduced:

ClO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-178.37

Dipole, Da:

8.96

IP(EA), eV:

 -9.02(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C)C

DOS

IR

Vibrations