Geometry & MOs

Info

ID:	33352
PubChem CID:	7886040
Reduced:	NSO2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	363.104148
ΔH_f, kcal/mol:	-80.96
Dipole, Da:	1.66
IP(EA), eV:	-8.58(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC(=C(C=C3)O)O)SC4=C2CCC4

DOS

IR

Vibrations