Geometry & MOs

Info

ID:

106693

PubChem CID:

50172733

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-218.16

Dipole, Da:

11.7

IP(EA), eV:

 -9.03(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)N

DOS

IR

Vibrations