Geometry & MOs

Info

ID:

105342

PubChem CID:

50106963

Reduced:

O4N5C27H35 (1)

Stoich.:

A4B5C27D35 (1)

Weight, g/mol:

515.231474

ΔHf, kcal/mol:

-152.85

Dipole, Da:

8.9

IP(EA), eV:

 -9.05(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations