Geometry & MOs

Info

ID:	50496
PubChem CID:	12013038
Reduced:	OS2C4H8 (1)
Stoich.:	AB2C4D8 (1)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	-40.06
Dipole, Da:	4.16
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-2-[5-(benzenesulfonyl)-1-methylpyrrol-2-yl]ethenyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

C1CC[S@](=O)SC1

DOS

IR

Vibrations