Geometry & MOs

Info

ID:

115414

PubChem CID:

50522037

Reduced:

ClO5N6C31H33 (1)

Stoich.:

AB5C6D31E33 (1)

Weight, g/mol:

577.223802

ΔHf, kcal/mol:

-167.68

Dipole, Da:

4.43

IP(EA), eV:

 -8.72(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations