Geometry & MOs

Info

ID:	228458
PubChem CID:	87564578
Reduced:	NP2C16H29 (1)
Stoich.:	AB2C16D29 (1)
Weight, g/mol:	384.090391
ΔH_f, kcal/mol:	11.81
Dipole, Da:	2.68
IP(EA), eV:	-8.75(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R)-2,3,4-trihydroxy-6-oxo-5-[(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoyl]oxyheptanoic acid

Drug info:

PubChemData

Smile

C=CCP(CCNCCP(CC=C)CC=C)CC=C

DOS

IR

Vibrations