Geometry & MOs

Info

ID:

119131

PubChem CID:

50670492

Reduced:

ClN6O6C33H43 (1)

Stoich.:

AB6C6D33E43 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-258.93

Dipole, Da:

8.84

IP(EA), eV:

 -8.88(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[3-[(3-fluorobenzoyl)amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations