Geometry & MOs

Info

ID:	398490
PubChem CID:	135033508
Reduced:	NSO6C24H27 (1)
Stoich.:	ABC6D24E27 (1)
Weight, g/mol:	349.152537
ΔH_f, kcal/mol:	-192.82
Dipole, Da:	5.33
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,3S,4R,5R,6S)-4-(1,3-benzodioxol-5-yl)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC1C(C2C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations