Geometry & MOs

Info

ID:	401346
PubChem CID:	135051021
Reduced:	NO2S2H5C7 (1)
Stoich.:	AB2C2D5E7 (1)
Weight, g/mol:	347.082744
ΔH_f, kcal/mol:	18.8
Dipole, Da:	4.55
IP(EA), eV:	-8.76(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-6-[1-(benzenesulfonyl)pyrrol-3-yl]-6-oxohex-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=S=O)N=S=O

DOS

IR

Vibrations