Geometry & MOs

Info

ID:	50502
PubChem CID:	12013044
Reduced:	NOSC8H11 (2)
Stoich.:	ABCD8E11 (2)
Weight, g/mol:	384.150764
ΔH_f, kcal/mol:	-40.88
Dipole, Da:	8.93
IP(EA), eV:	-8.1(-0.57)
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-diethylfuran-2-amine

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(S1)/C=C/C2=CC=C(N2C)S(=O)(=O)C

DOS

IR

Vibrations