Geometry & MOs

Info

ID:	297842
PubChem CID:	117633564
Reduced:	ClSN2O3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	430.165935
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	2.9
IP(EA), eV:	-8.25(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloroamino)-2-[2-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenoxy]phenyl]ethyl]propane-1,3-diol

Drug info:

PubChemData

Smile

CC1=CC=C(N1)C2=CC=C(C=C2)SC3=CC=C(C=C3)C(CC(CO)(CO)NCl)O

DOS

IR

Vibrations