Geometry & MOs

Info

ID:	33795
PubChem CID:	7888141
Reduced:	N2S2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	369.096955
ΔH_f, kcal/mol:	43.14
Dipole, Da:	2.32
IP(EA), eV:	-8.48(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SC

DOS

IR

Vibrations