Geometry & MOs

Info

ID:	321575
PubChem CID:	126666632
Reduced:	SF4O5N6C41H46 (1)
Stoich.:	AB4C5D6E41F46 (1)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	-323.23
Dipole, Da:	7.05
IP(EA), eV:	-8.17(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4R)-2-methyloxan-4-yl] butanoate

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(C)C1=CC=CC=C1CNC2=C3C(=CC(=N2)C4=CC(=C(C=C4CC(F)(F)F)OCC5=CC=CC=C5)F)N(N=C3C(=O)NC(C)(C)C)C6CCCCO6

DOS

IR

Vibrations