Geometry & MOs

Info

ID:	151084
PubChem CID:	53790782
Reduced:	NS2O5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	318.240624
ΔH_f, kcal/mol:	-174.53
Dipole, Da:	5.43
IP(EA), eV:	-8.56(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-dodecoxy-3-hydroxypropan-2-yl) methyl carbonate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(S1)CC[C@H]2C=NC(=C(S2)C(=O)OC)OC)C

DOS

IR

Vibrations