Geometry & MOs

Info

ID:	395254
PubChem CID:	135025029
Reduced:	N2S2O3C21H26 (1)
Stoich.:	A2B2C3D21E26 (1)
Weight, g/mol:	440.256274
ΔH_f, kcal/mol:	-86.05
Dipole, Da:	8.38
IP(EA), eV:	-9.16(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7R,8R,10R,13R)-8-benzoyloxy-13-hydroxy-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-6-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]1(CSC(=N1)C2=CC=CC=C2)C(=O)N3C4CC5CCC4(C5(C)C)CS3(=O)=O

DOS

IR

Vibrations