Geometry & MOs

Info

ID:

91860

PubChem CID:

49979692

Reduced:

F3N5O5C33H40 (1)

Stoich.:

A3B5C5D33E40 (1)

Weight, g/mol:

611.288989

ΔHf, kcal/mol:

-346.76

Dipole, Da:

9.46

IP(EA), eV:

 -8.94(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations