Geometry & MOs

Info

ID:	124317
PubChem CID:	50878525
Reduced:	O2S2N5H17C19 (1)
Stoich.:	A2B2C5D17E19 (1)
Weight, g/mol:	301.092521
ΔH_f, kcal/mol:	60.38
Dipole, Da:	4.49
IP(EA), eV:	-8.52(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-3-[(E)-2-thiophen-2-ylethenyl]-1H-indole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N3C=CSC3=N2)/C=N/NC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations