Geometry & MOs

Info

ID:	442372
PubChem CID:	135251641
Reduced:	N3O5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	172.128572
ΔH_f, kcal/mol:	-206.08
Dipole, Da:	8.03
IP(EA), eV:	-9.25(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-(2,2-dimethylpropyl)-2-methylthiolane

Drug info:

PubChemData

Smile

CC(C)(C)OC(N1C=C(C2=C1C=CC=N2)C(=O)N[C@H]3CCOC[C@@H]3O)O

DOS

IR

Vibrations