Geometry & MOs

Info

ID:	442365
PubChem CID:	135251586
Reduced:	FN3O3C32H36 (1)
Stoich.:	AB3C3D32E36 (1)
Weight, g/mol:	272.101706
ΔH_f, kcal/mol:	-103.53
Dipole, Da:	7.9
IP(EA), eV:	-8.76(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6S,6aS)-3a-methyl-6-(5-sulfanylidenehexyl)-3,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C3CC[C@H](C3=C(C=C2)F)NC4=NC=C(N=C4)[C@H]5CC5C(=O)C)C)OCC6CCOCC6

DOS

IR

Vibrations