Geometry & MOs

Info

ID:	242550
PubChem CID:	97302009
Reduced:	NS2O4C11H17 (1)
Stoich.:	AB2C4D11E17 (1)
Weight, g/mol:	365.093309
ΔH_f, kcal/mol:	-189.02
Dipole, Da:	5.65
IP(EA), eV:	-9.24(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-6-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-7-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](CSC(=O)C)C(=O)N1CCS[C@]1(C)C(=O)O

DOS

IR

Vibrations