Geometry & MOs

Info

ID:

107686

PubChem CID:

50214729

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

616.337319

ΔHf, kcal/mol:

-188.93

Dipole, Da:

6.18

IP(EA), eV:

 -8.82(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations