Geometry & MOs

Info

ID:	46179
PubChem CID:	10522823
Reduced:	ClOS2N6H9C13 (1)
Stoich.:	ABC2D6E9F13 (1)
Weight, g/mol:	366.0159
ΔH_f, kcal/mol:	101.94
Dipole, Da:	1.87
IP(EA), eV:	-9.11(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-1-seleninic acid

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)SCN2C(=O)C(=C(C=N2)SC3=NC=CC=N3)Cl

DOS

IR

Vibrations