Geometry & MOs

Info

ID:

95730

PubChem CID:

50013167

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-212.83

Dipole, Da:

8.89

IP(EA), eV:

 -8.9(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations