Geometry & MOs

Info

ID:	226032
PubChem CID:	87246649
Reduced:	FCl2N4O4C43H51 (1)
Stoich.:	AB2C4D4E43F51 (1)
Weight, g/mol:	379.126717
ΔH_f, kcal/mol:	-135.26
Dipole, Da:	10.95
IP(EA), eV:	-8.81(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-4-methyl-1-oxo-1-(2-oxochromen-7-yl)hexan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCC1C(N=C(N1)C2=C(C=C(C=C2)OC)OCCF)C3=CC=C(C=C3)Cl.CCCC1C(N=C(N1)C2=C(C=C(C=C2)OC)OC(C)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations