Geometry & MOs

Info

ID:	241026
PubChem CID:	93621235
Reduced:	SN2O5C12H18 (1)
Stoich.:	AB2C5D12E18 (1)
Weight, g/mol:	319.096618
ΔH_f, kcal/mol:	-201.97
Dipole, Da:	5.59
IP(EA), eV:	-9.34(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(O1)C)S(=O)(=O)N)C(=O)NC[C@H]2CCCO2

DOS

IR

Vibrations