Geometry & MOs

Info

ID:	300519
PubChem CID:	121360371
Reduced:	N3H27C38 (1)
Stoich.:	A3B27C38 (1)
Weight, g/mol:	414.78287
ΔH_f, kcal/mol:	179.21
Dipole, Da:	4.76
IP(EA), eV:	-7.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,11-dibromo-8-methyl-3,7lambda6,12-trithia-8-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene 7,7-dioxide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2NC3=CC4=C(C=C3)N(C5=C4C=C(C=C5)N6C=CC7=CC=CC=C76)C8=CC=CC=C8

DOS

IR

Vibrations