Geometry & MOs

Info

ID:	307967
PubChem CID:	125310989
Reduced:	O3N5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	578.20465
ΔH_f, kcal/mol:	-57.68
Dipole, Da:	8.71
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5S,6S)-5-acetamido-3,4-diacetyloxy-6-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1NC2=CC=CC=C2C(=O)N1CCCCCC(=O)NC3=CC4=C(C=C3)NC=NC4=O

DOS

IR

Vibrations