Geometry & MOs

Info

ID:	170334
PubChem CID:	75217653
Reduced:	PF2N5O8C64H102 (1)
Stoich.:	AB2C5D8E64F102 (1)
Weight, g/mol:	342.131468
ΔH_f, kcal/mol:	-625.81
Dipole, Da:	4.41
IP(EA), eV:	-9.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-5-[3-(3,4,5-trihydroxy-6-methyloxan-2-yl)propoxy]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOP(=O)(C(C1=CC=C(C=C1)C=CC(=O)NC2CCCC3CCC(N3C2=O)C(=O)NC(CCC(=O)N)C(=O)NCC4=CC=CC=C4)(F)F)OCCCCCCCCCCCCCCCC

DOS

IR

Vibrations