Geometry & MOs

Info

ID:	398491
PubChem CID:	135033510
Reduced:	NO6C18H23 (1)
Stoich.:	AB6C18D23 (1)
Weight, g/mol:	349.152537
ΔH_f, kcal/mol:	-218.22
Dipole, Da:	1.79
IP(EA), eV:	-8.65(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,4R,5R,6R)-6-(1,3-benzodioxol-5-yl)-4,5-dihydroxycyclohex-2-en-1-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1C[C@@H]2[C@@H](O2)[C@@H]([C@@H]1C3=CC4=C(C=C3)OCO4)O

DOS

IR

Vibrations