Geometry & MOs

Info

ID:

119150

PubChem CID:

50671492

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

617.255102

ΔHf, kcal/mol:

-226.57

Dipole, Da:

6.89

IP(EA), eV:

 -9.12(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl

DOS

IR

Vibrations