Geometry & MOs

Info

ID:

99949

PubChem CID:

50056518

Reduced:

N5O6C33H39 (1)

Stoich.:

A5B6C33D39 (1)

Weight, g/mol:

591.262774

ΔHf, kcal/mol:

-199.77

Dipole, Da:

8.44

IP(EA), eV:

 -8.23(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations