Geometry & MOs

Info

ID:	179246
PubChem CID:	76455609
Reduced:	FINO3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	1028.276614
ΔH_f, kcal/mol:	-114.12
Dipole, Da:	1.43
IP(EA), eV:	-9.63(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,4-N-bis[4-[3,4,5-trihydroxy-2-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-3-yl]sulfanylphenyl]benzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1C=NC2=C(C1=O)C=C(C=C2F)CI

DOS

IR

Vibrations