Geometry & MOs

Info

ID:

118504

PubChem CID:

50644733

Reduced:

Cl2O5N6C31H40 (1)

Stoich.:

A2B5C6D31E40 (1)

Weight, g/mol:

605.255102

ΔHf, kcal/mol:

-228.18

Dipole, Da:

8.97

IP(EA), eV:

 -8.9(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C(C)C)Cl

DOS

IR

Vibrations