Geometry & MOs

Info

ID:	167787
PubChem CID:	74876208
Reduced:	BrOSN2C7H13 (1)
Stoich.:	ABCD2E7F13 (1)
Weight, g/mol:	294.064983
ΔH_f, kcal/mol:	-56.77
Dipole, Da:	3.91
IP(EA), eV:	-9.23(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-2-(2-methoxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)SCCBr

DOS

IR

Vibrations