Geometry & MOs

Info

ID:	120856
PubChem CID:	50746967
Reduced:	NSO2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	373.171165
ΔH_f, kcal/mol:	-58.87
Dipole, Da:	7.28
IP(EA), eV:	-9.08(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CCCN2S(=O)(=O)C3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations