Geometry & MOs

Info

ID:	303223
PubChem CID:	124489376
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	302.085577
ΔH_f, kcal/mol:	-72.21
Dipole, Da:	3.69
IP(EA), eV:	-8.89(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H](C2)CNC

DOS

IR

Vibrations