Geometry & MOs

Info

ID:	399080
PubChem CID:	135037534
Reduced:	NSiO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	-96.31
Dipole, Da:	1.5
IP(EA), eV:	-8.89(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-3-[(S)-benzylsulfinyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CN1CC2=C3COCC3CC(=C2C1=O)[Si](C)(C)C

DOS

IR

Vibrations