Geometry & MOs

Info

ID:	30688
PubChem CID:	841729
Reduced:	NO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	295.171834
ΔH_f, kcal/mol:	-193.93
Dipole, Da:	6.73
IP(EA), eV:	-10.45(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H]1[C@@H]2CC[C@H]([C@@H]1C(=O)O)O2

DOS

IR

Vibrations