Geometry & MOs

Info

ID:

106452

PubChem CID:

50163851

Reduced:

O5N6C43H54 (1)

Stoich.:

A5B6C43D54 (1)

Weight, g/mol:

676.358448

ΔHf, kcal/mol:

-197.19

Dipole, Da:

9.61

IP(EA), eV:

 -8.22(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-methoxy-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC(=C6)C)C)C

DOS

IR

Vibrations