Geometry & MOs

Info

ID:	159928
PubChem CID:	57298697
Reduced:	O5H10C11 (1)
Stoich.:	A5B10C11 (1)
Weight, g/mol:	463.088804
ΔH_f, kcal/mol:	-183.49
Dipole, Da:	3.56
IP(EA), eV:	-9.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R,4R)-2-[2-(2,4-dichlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(C=C1)OC[C@H]2C(=O)O

DOS

IR

Vibrations