Geometry & MOs

Info

ID:	303219
PubChem CID:	124489371
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-107.86
Dipole, Da:	6.2
IP(EA), eV:	-9.04(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[C@@H](C2)CNC)OC

DOS

IR

Vibrations