Geometry & MOs

Info

ID:	221894
PubChem CID:	85292305
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	346.185235
ΔH_f, kcal/mol:	-128.55
Dipole, Da:	4.06
IP(EA), eV:	-9.45(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-azido-7,8-dihydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)C(C2CC(C=C2)N(C(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations