Geometry & MOs

Info

ID:	328388
PubChem CID:	126705746
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	286.019433
ΔH_f, kcal/mol:	-79.48
Dipole, Da:	3.23
IP(EA), eV:	-8.41(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(E)-pent-3-yn-2-ylideneamino]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)C(C)(C)C)NC2=O)C

DOS

IR

Vibrations