Geometry & MOs

Info

ID:

117005

PubChem CID:

50584647

Reduced:

Cl2O5N6C35H46 (1)

Stoich.:

A2B5C6D35E46 (1)

Weight, g/mol:

589.223802

ΔHf, kcal/mol:

-243.15

Dipole, Da:

10.49

IP(EA), eV:

 -8.89(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations