Geometry & MOs

Info

ID:	139571
PubChem CID:	52560058
Reduced:	SN2O6C23H26 (1)
Stoich.:	AB2C6D23E26 (1)
Weight, g/mol:	344.231122
ΔH_f, kcal/mol:	-194.98
Dipole, Da:	7.82
IP(EA), eV:	-9.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)OC[C@@H](CN2C3=CC=CC=C3N=C2C[C@H]4CCS(=O)(=O)C4)O

DOS

IR

Vibrations