Geometry & MOs

Info

ID:	151878
PubChem CID:	56310702
Reduced:	SN3O6C19H23 (1)
Stoich.:	AB3C6D19E23 (1)
Weight, g/mol:	388.182064
ΔH_f, kcal/mol:	-107.62
Dipole, Da:	8.33
IP(EA), eV:	-7.98(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NCC2CCN(C2)C3=CC=CC=C3OC)[N+](=O)[O-]

DOS

IR

Vibrations