Geometry & MOs

Info

ID:

95867

PubChem CID:

50016016

Reduced:

F2O4N5C35H41 (1)

Stoich.:

A2B4C5D35E41 (1)

Weight, g/mol:

597.309724

ΔHf, kcal/mol:

-221.38

Dipole, Da:

6.02

IP(EA), eV:

 -9.17(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations