Geometry & MOs

Info

ID:	50500
PubChem CID:	12013042
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	400.12792
ΔH_f, kcal/mol:	-27.08
Dipole, Da:	7.96
IP(EA), eV:	-8.09(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-[5-(benzenesulfonyl)-1-methylpyrrol-2-yl]ethenyl]-N,N-diethylthiophen-2-amine

Drug info:

PubChemData

Smile

CN1C(=CC=C1S(=O)(=O)C)/C=C/C2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations