Geometry & MOs

Info

ID:

92385

PubChem CID:

49985467

Reduced:

N5O6C35H47 (1)

Stoich.:

A5B6C35D47 (1)

Weight, g/mol:

625.341024

ΔHf, kcal/mol:

-245.7

Dipole, Da:

4.83

IP(EA), eV:

 -8.19(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations