Geometry & MOs

Info

ID:	445049
PubChem CID:	135264393
Reduced:	SN4O7C34H42 (1)
Stoich.:	AB4C7D34E42 (1)
Weight, g/mol:	378.11907
ΔH_f, kcal/mol:	-250.94
Dipole, Da:	9.61
IP(EA), eV:	-8.79(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[4-(3,4-dihydropyridin-2-yl)phenyl]thieno[3,2-a]carbazole

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCC(=O)N4CCC[C@H]4C(=O)NS(=O)(=O)CC(=O)OC

DOS

IR

Vibrations