Geometry & MOs

Info

ID:	298759
PubChem CID:	117655930
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	378.200216
ΔH_f, kcal/mol:	-49.83
Dipole, Da:	2.23
IP(EA), eV:	-9.5(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,4R,5S)-2,4,5-trihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)C(=O)[C@H](CCCNC(N)N)N

DOS

IR

Vibrations