Geometry & MOs

Info

ID:

119006

PubChem CID:

50666986

Reduced:

ClN5O6C30H38 (1)

Stoich.:

AB5C6D30E38 (1)

Weight, g/mol:

597.235412

ΔHf, kcal/mol:

-230.31

Dipole, Da:

9.11

IP(EA), eV:

 -8.6(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations