Geometry & MOs

Info

ID:	217733
PubChem CID:	85088292
Reduced:	NSO2C24H27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	393.19715
ΔH_f, kcal/mol:	-29.04
Dipole, Da:	4.87
IP(EA), eV:	-8.17(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethyl)-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxylate

Drug info:

PubChemData

Smile

CC1CC(C2=C1C(=C(C3=C2N(C=C3)S(=O)(=O)C4=CC=CC=C4)CCC=C)C)C

DOS

IR

Vibrations