Geometry & MOs

Info

ID:	177203
PubChem CID:	76146559
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	374.091198
ΔH_f, kcal/mol:	-26.25
Dipole, Da:	1.84
IP(EA), eV:	-9.26(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CCOC(CCNC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)N3C=CC=C3)OCC

DOS

IR

Vibrations