Geometry & MOs

Info

ID:	391512
PubChem CID:	135006054
Reduced:	NSO3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	317.14495
ΔH_f, kcal/mol:	-58.3
Dipole, Da:	6.55
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(cyclopropylmethylidene)-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidine

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](/C(=C/C2=CC=C(C=C2)OC)/CN1S(=O)(=O)C3=CC=C(C=C3)C)C=C

DOS

IR

Vibrations