Geometry & MOs

Info

ID:	168322
PubChem CID:	74951439
Reduced:	O3N6C33H38 (1)
Stoich.:	A3B6C33D38 (1)
Weight, g/mol:	483.119917
ΔH_f, kcal/mol:	-15.46
Dipole, Da:	7.43
IP(EA), eV:	-9.1(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-(phenoxycarbothioylamino)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1CN(C(=O)C(NC1CNC(=O)C2=CC3=CC=CC=C3O2)CCCN=C(N)N)CC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations