Geometry & MOs

Info

ID:	402912
PubChem CID:	135057834
Reduced:	OC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	567.10387
ΔH_f, kcal/mol:	-54.68
Dipole, Da:	0.59
IP(EA), eV:	-8.66(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3S,6R)-3-bromo-2-(3-methylphenyl)-6-[(4-nitrophenyl)sulfonylamino]azepane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CC1=C(C=C(C=C1)OC)O)C2=CC=CC=C2

DOS

IR

Vibrations