Geometry & MOs

Info

ID:	30829
PubChem CID:	841980
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	-74.1
Dipole, Da:	5.29
IP(EA), eV:	-9.41(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC[C@H]([C@H](C1)C(=O)NC2=NN=C(S2)C3CC3)C(=O)O

DOS

IR

Vibrations