Geometry & MOs

Info

ID:	139670
PubChem CID:	52577181
Reduced:	FSO3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	367.102434
ΔH_f, kcal/mol:	-119.1
Dipole, Da:	2.62
IP(EA), eV:	-9.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(1R)-1-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(O1)C(=O)OC)SC2=CC=C(C=C2)F

DOS

IR

Vibrations