Geometry & MOs

Info

ID:	176922
PubChem CID:	76114131
Reduced:	FS2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	403.147846
ΔH_f, kcal/mol:	-133.58
Dipole, Da:	2.94
IP(EA), eV:	-8.54(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-diacetyl-5,6,8,9-tetrahydroxy-2,3,7-trioxodecan-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CSC(SC1)C(C(C(CO)F)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations