Geometry & MOs

Info

ID:	196324
PubChem CID:	78811339
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	351.069592
ΔH_f, kcal/mol:	-39.78
Dipole, Da:	5.86
IP(EA), eV:	-8.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations