Geometry & MOs

Info

ID:	387043
PubChem CID:	134983779
Reduced:	NO4C26H27 (1)
Stoich.:	AB4C26D27 (1)
Weight, g/mol:	369.117215
ΔH_f, kcal/mol:	-61.72
Dipole, Da:	3.24
IP(EA), eV:	-9.35(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5Z,6R)-3,4-diacetyloxy-5-hydroxyimino-6-pyrazol-1-yloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H](N1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCOC

DOS

IR

Vibrations