Geometry & MOs

Info

ID:

106213

PubChem CID:

50153076

Reduced:

Cl2O4N5C30H39 (1)

Stoich.:

A2B4C5D30E39 (1)

Weight, g/mol:

585.309724

ΔHf, kcal/mol:

-186.23

Dipole, Da:

4.69

IP(EA), eV:

 -8.97(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-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=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations