Geometry & MOs

Info

ID:	328188
PubChem CID:	126695481
Reduced:	PSN5O5C30H34 (1)
Stoich.:	ABC5D5E30F34 (1)
Weight, g/mol:	712.200691
ΔH_f, kcal/mol:	-98.57
Dipole, Da:	7.91
IP(EA), eV:	-8.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[2-[3-(8-methyl-7,8-dihydro-[1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1COCCN1CCOC2=CC=CC(=C2)C(=NC3=CC(=CC=C3)OCC4=CSC5=C4C(=NC=C5C(=O)NCCO)N)P

DOS

IR

Vibrations