Geometry & MOs

Info

ID:	214463
PubChem CID:	85083083
Reduced:	S2O6N7C21H27 (1)
Stoich.:	A2B6C7D21E27 (1)
Weight, g/mol:	537.046695
ΔH_f, kcal/mol:	-94.18
Dipole, Da:	14.46
IP(EA), eV:	-8.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(4-methylphenyl)sulfonylamino]-3,4-bis(methylsulfonyloxy)hexan-2-yl] methanesulfonate

Drug info:

PubChemData

Smile

C[N+]1(C2CCC1CC(C2)O)CC3=C(N4C(C(C4=O)NC(=O)C(=NOC)C5=NSC(=N5)N)SC3)C(=O)[O-]

DOS

IR

Vibrations