Geometry & MOs

Info

ID:	399449
PubChem CID:	135040321
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	414.98168
ΔH_f, kcal/mol:	-101.31
Dipole, Da:	3.11
IP(EA), eV:	-9.88(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,4S,5S)-4,5-dibromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CN1C=C(N=N1)CCCCO)C(=O)OC

DOS

IR

Vibrations