Geometry & MOs

Info

ID:	445080
PubChem CID:	135264500
Reduced:	SN4O6C44H52 (1)
Stoich.:	AB4C6D44E52 (1)
Weight, g/mol:	414.11907
ΔH_f, kcal/mol:	-183.47
Dipole, Da:	7.08
IP(EA), eV:	-8.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzothiophen-2-yl)-10-phenylpyrrolo[3,2-a]carbazole

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C[C@@H](C(NC([C@H](C4=CC=CC=C4)O)C(=O)O)O)NC(=O)C5=CC=C(S5)C(C)(C)C

DOS

IR

Vibrations