Geometry & MOs

Info

ID:	219363
PubChem CID:	85147453
Reduced:	O3N8C19H28 (1)
Stoich.:	A3B8C19D28 (1)
Weight, g/mol:	412.132
ΔH_f, kcal/mol:	-15.81
Dipole, Da:	12.49
IP(EA), eV:	-8.5(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenylsulfanylpentan-2-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1NC2=NC=C(C(=N2)OCCC)C(=O)NC3NNNN3

DOS

IR

Vibrations