Geometry & MOs

Info

ID:	150953
PubChem CID:	53790650
Reduced:	Cl2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	241.077265
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	1.36
IP(EA), eV:	-8.03(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-2,5-dihydropyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1OCCCOC2=CC=C(C=C2)OC(C)C)CC)OCC=C(Cl)Cl

DOS

IR

Vibrations