Geometry & MOs

Info

ID:

115415

PubChem CID:

50522172

Reduced:

ClSO4N7C26H36 (1)

Stoich.:

ABC4D7E26F36 (1)

Weight, g/mol:

582.235746

ΔHf, kcal/mol:

-154.35

Dipole, Da:

2.84

IP(EA), eV:

 -9.16(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoylphenyl)-1-[1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations