Geometry & MOs

Info

ID:

120087

PubChem CID:

50713281

Reduced:

ClN5O6C30H38 (1)

Stoich.:

AB5C6D30E38 (1)

Weight, g/mol:

583.176851

ΔHf, kcal/mol:

-222.18

Dipole, Da:

7.31

IP(EA), eV:

 -8.31(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations