Geometry & MOs

Info

ID:	219860
PubChem CID:	85164974
Reduced:	BrSN3O6C27H34 (1)
Stoich.:	ABC3D6E27F34 (1)
Weight, g/mol:	608.099774
ΔH_f, kcal/mol:	-237.57
Dipole, Da:	4.98
IP(EA), eV:	-8.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-4-[(4-methoxyphenyl)methoxy]-6-phenylsulfanyl-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)OC)NC(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations