Geometry & MOs

Info

ID:	50501
PubChem CID:	12013043
Reduced:	N2O2S2C21H24 (1)
Stoich.:	A2B2C2D21E24 (1)
Weight, g/mol:	338.11227
ΔH_f, kcal/mol:	-4.65
Dipole, Da:	7.87
IP(EA), eV:	-7.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-5-[(E)-2-(1-methyl-5-methylsulfonylpyrrol-2-yl)ethenyl]thiophen-2-amine

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(S1)/C=C/C2=CC=C(N2C)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations