Geometry & MOs

Info

ID:	58977
PubChem CID:	24770050
Reduced:	O3C7H12 (1)
Stoich.:	A3B7C12 (1)
Weight, g/mol:	420.190521
ΔH_f, kcal/mol:	-147.28
Dipole, Da:	4.27
IP(EA), eV:	-10.48(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-1-methoxy-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H](OC(=O)[C@@H]1O)C

DOS

IR

Vibrations