Geometry & MOs

Info

ID:	393740
PubChem CID:	135021586
Reduced:	NO4H23C26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	369.139865
ΔH_f, kcal/mol:	-19.0
Dipole, Da:	7.03
IP(EA), eV:	-9.65(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,4E)-3-benzylidene-4-(2-methoxyethylidene)-1-(4-methylphenyl)sulfonylpyrrolidine

Drug info:

PubChemData

Smile

CC([C@@H]1[C@H]([C@@H](C2=CC=CC=C12)CC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations