Geometry & MOs

Info

ID:	413478
PubChem CID:	135086427
Reduced:	SN2O2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	709.107071
ΔH_f, kcal/mol:	-42.99
Dipole, Da:	1.91
IP(EA), eV:	-8.57(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyloxy-3-phenylmethoxy-5-[(1S)-1-phenyl-2-phenylsulfanylethoxy]-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCCCN1C2=CC=CC=C2C(=C1NC(=O)C3=CC=CS3)C(=O)C

DOS

IR

Vibrations