Geometry & MOs

Info

ID:	162571
PubChem CID:	57395101
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	380.133199
ΔH_f, kcal/mol:	32.79
Dipole, Da:	6.01
IP(EA), eV:	-8.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methyl]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CN1C=C(C2=C1N=C(C=C2)C3=CNN=C3)C(=O)NCC4=CC(=CC=C4)OC

DOS

IR

Vibrations