Geometry & MOs

Info

ID:	173190
PubChem CID:	75608083
Reduced:	N3O10H27C28 (1)
Stoich.:	A3B10C27D28 (1)
Weight, g/mol:	447.164165
ΔH_f, kcal/mol:	-193.93
Dipole, Da:	7.34
IP(EA), eV:	-9.85(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-diacetyloxy-6-methoxy-5-(4-phenyltriazol-1-yl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(OC2C1OC(OC2)C3=CC=CC=C3)OCC4=CC=CC=C4)NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations