Geometry & MOs

Info

ID:	327400
PubChem CID:	126689794
Reduced:	FS2N7C25H26 (1)
Stoich.:	AB2C7D25E26 (1)
Weight, g/mol:	374.303224
ΔH_f, kcal/mol:	112.15
Dipole, Da:	7.26
IP(EA), eV:	-8.66(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate

Drug info:

PubChemData

Smile

CN(C1=C(N=C2N1N=C(C=C2)C3CCN(CC3)SC)CCC#N)C4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations