Geometry & MOs

Info

ID:	221688
PubChem CID:	85285973
Reduced:	NSnO2C31H57 (1)
Stoich.:	ABC2D31E57 (1)
Weight, g/mol:	594.239973
ΔH_f, kcal/mol:	-146.84
Dipole, Da:	2.69
IP(EA), eV:	-9.22(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[benzenesulfonyl(propyl)amino]ethyl]-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C=CC1C2CCCCC2CC1N(CC=C)C(=O)OC(C)(C)C

DOS

IR

Vibrations