Geometry & MOs

Info

ID:	159217
PubChem CID:	57264434
Reduced:	N3C14H21 (1)
Stoich.:	A3B14C21 (1)
Weight, g/mol:	642.332332
ΔH_f, kcal/mol:	30.87
Dipole, Da:	2.67
IP(EA), eV:	-7.93(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3R,6S)-6-hexyl-2-oxooxan-3-yl]oxycarbonylphenyl] 3-chloro-4-dodecoxybenzoate

Drug info:

PubChemData

Smile

CN(C)CCCCNC1=CC=CC2=C1NC=C2

DOS

IR

Vibrations