Geometry & MOs

Info

ID:	426237
PubChem CID:	135142824
Reduced:	N3H27C40 (1)
Stoich.:	A3B27C40 (1)
Weight, g/mol:	346.029125
ΔH_f, kcal/mol:	193.8
Dipole, Da:	2.41
IP(EA), eV:	-8.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(benzenesulfonyl)-4-(chloromethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=CC=CC(=N3)C4=CC=C(C=C4)C5NC6=CC=CC7=C6N5C8=CC=CC=C8C9=CC=CC=C79

DOS

IR

Vibrations