Geometry & MOs

Info

ID:	221466
PubChem CID:	85273739
Reduced:	NSO2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	309.17602
ΔH_f, kcal/mol:	-69.46
Dipole, Da:	3.08
IP(EA), eV:	-8.54(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8-ethylidene-5,5-dimethyl-9-oxo-1-aza-5-silabicyclo[5.2.0]nonane-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C=CC(C2C(=O)SCCNC(=O)C)C

DOS

IR

Vibrations