Geometry & MOs

Info

ID:

106438

PubChem CID:

50163464

Reduced:

O5N6C38H46 (1)

Stoich.:

A5B6C38D46 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-177.87

Dipole, Da:

12.3

IP(EA), eV:

 -8.68(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-[(3-fluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCC5)C

DOS

IR

Vibrations