Geometry & MOs

Info

ID:	303593
PubChem CID:	124489941
Reduced:	SN4O4C16H28 (1)
Stoich.:	AB4C4D16E28 (1)
Weight, g/mol:	326.100168
ΔH_f, kcal/mol:	-188.9
Dipole, Da:	5.47
IP(EA), eV:	-9.22(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@H](C(=O)O)N)NC(=O)N2

DOS

IR

Vibrations