Geometry & MOs

Info

ID:	269036
PubChem CID:	103607396
Reduced:	NSO4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	303.123736
ΔH_f, kcal/mol:	-90.36
Dipole, Da:	3.29
IP(EA), eV:	-8.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylpropane-1,3-diol

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)SCC(=O)C2=CC3=C(C=C2)OCO3)C

DOS

IR

Vibrations