Geometry & MOs

Info

ID:	264726
PubChem CID:	103486298
Reduced:	S2N3O4C11H19 (1)
Stoich.:	A2B3C4D11E19 (1)
Weight, g/mol:	277.128963
ΔH_f, kcal/mol:	-157.14
Dipole, Da:	3.46
IP(EA), eV:	-9.01(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-ethoxypropan-2-yloxy)-5-(trifluoromethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CSC(=N1)NCCNS(=O)(=O)C

DOS

IR

Vibrations