Geometry & MOs

Info

ID:

221832

PubChem CID:

85286188

Reduced:

ClPO4N6C31H42 (1)

Stoich.:

ABC4D6E31F42 (1)

Weight, g/mol:

628.201

ΔHf, kcal/mol:

-159.98

Dipole, Da:

17.0

IP(EA), eV:

 -8.12(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-(1,3-benzodioxol-5-yl)-1-[2-[(4-chlorophenyl)sulfonyl-propylamino]ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC([NH2+]C1)C(=O)N2CCCC2P(=O)(C3=CC=C(C=C3)NC(=O)C4CCCN4)C5=CC=C(C=C5)NC(=O)C6CCCN6.[Cl-]

DOS

IR

Vibrations