Geometry & MOs

Info

ID:	307159
PubChem CID:	125275529
Reduced:	O2N8C25H28 (1)
Stoich.:	A2B8C25D28 (1)
Weight, g/mol:	291.071134
ΔH_f, kcal/mol:	29.49
Dipole, Da:	6.03
IP(EA), eV:	-8.63(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-butylsulfonyl-2H-1,3,4-thiadiazol-5-ylidene]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)NCC4=NC5=CC=CC=C5C(=N4)C)N(C(=O)NC2=O)C

DOS

IR

Vibrations