Geometry & MOs

Info

ID:	89783
PubChem CID:	49964485
Reduced:	O2S2N4C19H22 (1)
Stoich.:	A2B2C4D19E22 (1)
Weight, g/mol:	406.093346
ΔH_f, kcal/mol:	1.64
Dipole, Da:	2.08
IP(EA), eV:	-9.0(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-fluorophenyl)methylsulfanyl]-11-(2-methoxyethyl)-4-thia-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,5-trien-8-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSC2=NN3C(=O)C4=C(CCN(C4)CCOC)N=C3S2

DOS

IR

Vibrations