Geometry & MOs

Info

ID:	133828
PubChem CID:	51596289
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	269.119798
ΔH_f, kcal/mol:	2.89
Dipole, Da:	3.54
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C2=C(C(=NC3=CC(=NN32)C4=CC=CO4)C)C

DOS

IR

Vibrations