Geometry & MOs

Info

ID:	385620
PubChem CID:	134979566
Reduced:	NSO3C20H33 (1)
Stoich.:	ABC3D20E33 (1)
Weight, g/mol:	325.171165
ΔH_f, kcal/mol:	-165.96
Dipole, Da:	4.38
IP(EA), eV:	-9.16(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(1S,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-2,4-dimethylpent-3-en-1-one

Drug info:

PubChemData

Smile

CCCC[C@H](C=C(C)C)C(=O)N1C2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O

DOS

IR

Vibrations