Geometry & MOs

Info

ID:	299857
PubChem CID:	117711906
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	548.139783
ΔH_f, kcal/mol:	-119.84
Dipole, Da:	4.48
IP(EA), eV:	-8.8(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethyl]-5-methyloxane

Drug info:

PubChemData

Smile

CC(=O)CCCCOC1=CC=C(C=C1)C/C(=N/NC(=O)CC(C)(C)S)/C

DOS

IR

Vibrations