Geometry & MOs

Info

ID:	46557
PubChem CID:	10525188
Reduced:	ClN2O5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	403.147846
ΔH_f, kcal/mol:	-165.82
Dipole, Da:	5.4
IP(EA), eV:	-9.07(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3R,4S,5S)-5-acetamido-2,3,4-triacetyloxy-1-hydroxycyclohexyl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)COC(=O)OC(=O)CC1C2=C(C=CC=N2)C(=O)N1C3=CC=C(C=C3)Cl

DOS

IR

Vibrations