Geometry & MOs

Info

ID:	135373
PubChem CID:	51862990
Reduced:	S2O3N4C23H24 (1)
Stoich.:	A2B3C4D23E24 (1)
Weight, g/mol:	403.105805
ΔH_f, kcal/mol:	-23.25
Dipole, Da:	5.73
IP(EA), eV:	-8.82(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NN=C(N3C)[C@H]4COC5=CC=CC=C5O4

DOS

IR

Vibrations