Geometry & MOs

Info

ID:	33339
PubChem CID:	7886010
Reduced:	SO2N3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	370.098728
ΔH_f, kcal/mol:	1.76
Dipole, Da:	3.84
IP(EA), eV:	-8.85(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-(3,4-dimethoxyphenyl)-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

C1CC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NC4=CC=CC=C4CC5=CC=CC=C5

DOS

IR

Vibrations