Geometry & MOs

Info

ID:	33468
PubChem CID:	7886637
Reduced:	F2O2S2N3H15C18 (1)
Stoich.:	A2B2C2D3E15F18 (1)
Weight, g/mol:	356.06532
ΔH_f, kcal/mol:	-110.41
Dipole, Da:	6.83
IP(EA), eV:	-8.91(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-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

C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)OC(F)F

DOS

IR

Vibrations