Geometry & MOs

Info

ID:	216452
PubChem CID:	85086257
Reduced:	N2O4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	270.09258
ΔH_f, kcal/mol:	-200.69
Dipole, Da:	4.56
IP(EA), eV:	-9.98(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-3-methylpent-4-enyl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC(C=C1)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations