Geometry & MOs

Info

ID:	152688
PubChem CID:	56311718
Reduced:	NSO5C20H25 (1)
Stoich.:	ABC5D20E25 (1)
Weight, g/mol:	365.085242
ΔH_f, kcal/mol:	-157.3
Dipole, Da:	9.77
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)N2CCC(C2)C3=CC=C(C=C3)OC)OC)OC

DOS

IR

Vibrations