Geometry & MOs

Info

ID:

101459

PubChem CID:

50064728

Reduced:

F2N5O6C35H39 (1)

Stoich.:

A2B5C6D35E39 (1)

Weight, g/mol:

653.25958

ΔHf, kcal/mol:

-285.49

Dipole, Da:

6.01

IP(EA), eV:

 -8.17(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-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

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations