Geometry & MOs

Info

ID:

105315

PubChem CID:

50106898

Reduced:

ClO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

501.215824

ΔHf, kcal/mol:

-216.44

Dipole, Da:

5.55

IP(EA), eV:

 -8.72(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations