Geometry & MOs

Info

ID:

111549

PubChem CID:

50372140

Reduced:

N5O6C35H49 (1)

Stoich.:

A5B6C35D49 (1)

Weight, g/mol:

625.341024

ΔHf, kcal/mol:

-254.33

Dipole, Da:

6.82

IP(EA), eV:

 -8.46(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(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=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)OC)OC)C(=O)NC4CCCC4

DOS

IR

Vibrations