Geometry & MOs

Info

ID:	395999
PubChem CID:	135027174
Reduced:	NO6C16H21 (1)
Stoich.:	AB6C16D21 (1)
Weight, g/mol:	362.15902
ΔH_f, kcal/mol:	-253.29
Dipole, Da:	2.7
IP(EA), eV:	-9.61(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R)-N-[(1-benzyltriazol-4-yl)methyl]-3,4,6-trihydroxy-5-methyloxane-2-carboxamide

Drug info:

PubChemData

Smile

CC1(O[C@@H]2C(O1)C([C@H](O2)[C@@H](C(=O)NCC3=CC=CC=C3)O)O)C

DOS

IR

Vibrations