Geometry & MOs

Info

ID:	217554
PubChem CID:	85087995
Reduced:	NSO7C16H25 (1)
Stoich.:	ABC7D16E25 (1)
Weight, g/mol:	375.114044
ΔH_f, kcal/mol:	-291.16
Dipole, Da:	3.22
IP(EA), eV:	-9.17(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,4-dihydro-1H-isochromene-1-carbonylamino)-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C(C(=O)OCOC(=O)C(C)(C)C)N1C(C(C1=O)(OC)OC)S)C

DOS

IR

Vibrations