Geometry & MOs

Info

ID:	307798
PubChem CID:	125309399
Reduced:	SO2F3N5H12C19 (1)
Stoich.:	AB2C3D5E12F19 (1)
Weight, g/mol:	397.124232
ΔH_f, kcal/mol:	-52.97
Dipole, Da:	4.36
IP(EA), eV:	-9.2(-3.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pentanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)CS[C@@H]2N=C3C(=CN=N3)C(=O)N2C4=CC(=C(C=C4)F)F)F

DOS

IR

Vibrations