Geometry & MOs

Info

ID:	445195
PubChem CID:	135264875
Reduced:	SN3O5C26H29 (1)
Stoich.:	AB3C5D26E29 (1)
Weight, g/mol:	466.15037
ΔH_f, kcal/mol:	-148.02
Dipole, Da:	6.03
IP(EA), eV:	-8.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-6-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)benzenethiol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)NC(=O)NC([C@@H](C)C2=CC=CC=C2)C(=O)N(C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations