Geometry & MOs

Info

ID:

95352

PubChem CID:

50008603

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

529.247124

ΔHf, kcal/mol:

-220.43

Dipole, Da:

7.25

IP(EA), eV:

 -8.89(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(methylcarbamoyl)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)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4

DOS

IR

Vibrations