Geometry & MOs

Info

ID:	391694
PubChem CID:	135008407
Reduced:	LiNSO2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	-13.8
Dipole, Da:	6.4
IP(EA), eV:	-7.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-phenyl-1-prop-2-enylpyrrol-3-yl)acetic acid

Drug info:

PubChemData

Smile

[Li+].CC1=[C-]N(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations