Geometry & MOs

Info

ID:	392064
PubChem CID:	135012533
Reduced:	NPO8C24H26 (1)
Stoich.:	ABC8D24E26 (1)
Weight, g/mol:	312.13953
ΔH_f, kcal/mol:	-325.6
Dipole, Da:	3.86
IP(EA), eV:	-8.75(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4S)-4-ethyl-3-hydroxy-2-methylhex-5-enyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC/C=C\1/C(=O)N(C(=CO1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations