Geometry & MOs

Info

ID:	171602
PubChem CID:	75401829
Reduced:	ClSN2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	338.103335
ΔH_f, kcal/mol:	9.64
Dipole, Da:	1.9
IP(EA), eV:	-9.03(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-hydroxycyclohexyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N=C(N)SC(C2=CC=CC=C2)C3=CC=CC=C3.Cl

DOS

IR

Vibrations