Geometry & MOs

Info

ID:	33493
PubChem CID:	7886727
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	358.044585
ΔH_f, kcal/mol:	-18.9
Dipole, Da:	7.17
IP(EA), eV:	-8.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydroxyphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations