Geometry & MOs

Info

ID:

119816

PubChem CID:

50703435

Reduced:

BrCl2O3N4C29H29 (1)

Stoich.:

AB2C3D4E29F29 (1)

Weight, g/mol:

540.171038

ΔHf, kcal/mol:

-79.98

Dipole, Da:

4.01

IP(EA), eV:

 -8.68(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)Cl

DOS

IR

Vibrations