Geometry & MOs

Info

ID:	42984
PubChem CID:	10317518
Reduced:	OSN4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	378.240624
ΔH_f, kcal/mol:	30.7
Dipole, Da:	4.6
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-hexanoyloxy-3-phenylmethoxypropyl] hexanoate

Drug info:

PubChemData

Smile

C1CSCCN1C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4

DOS

IR

Vibrations