Geometry & MOs

Info

ID:	133301
PubChem CID:	51505549
Reduced:	SO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	417.196037
ΔH_f, kcal/mol:	-90.61
Dipole, Da:	4.84
IP(EA), eV:	-8.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-hydroxy-6,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-1'-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CN2CCC3(CC2)C[C@H](C4=C(O3)C=C(C(=C4)C)C)O

DOS

IR

Vibrations