Geometry & MOs

Info

ID:

118394

PubChem CID:

50641404

Reduced:

ClO3N4C29H37 (1)

Stoich.:

AB3C4D29E37 (1)

Weight, g/mol:

540.213948

ΔHf, kcal/mol:

-125.21

Dipole, Da:

7.18

IP(EA), eV:

 -8.76(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations