Geometry & MOs

Info

ID:	392361
PubChem CID:	135014729
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	404.13657
ΔH_f, kcal/mol:	-33.26
Dipole, Da:	1.0
IP(EA), eV:	-9.0(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R,4R,5R)-3-azido-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonyloxycyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H](/C(=N\OC)/C12CCC(=C2)C)C(C)C

DOS

IR

Vibrations