Geometry & MOs

Info

ID:

222701

PubChem CID:

85330223

Reduced:

SN4O5C27H36 (1)

Stoich.:

AB4C5D27E36 (1)

Weight, g/mol:

592.152526

ΔHf, kcal/mol:

-129.04

Dipole, Da:

4.49

IP(EA), eV:

 -8.97(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-methoxy-3-oxopropyl] 4-[(dimethylamino)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC1(CC(C(N1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)C3=NC=CS3)C4(NOC=N4)C)C(=O)O

DOS

IR

Vibrations