Geometry & MOs

Info

ID:

119456

PubChem CID:

50685684

Reduced:

ClO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

633.251811

ΔHf, kcal/mol:

-206.24

Dipole, Da:

9.54

IP(EA), eV:

 -9.05(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[(4-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl)C(=O)NC

DOS

IR

Vibrations