Geometry & MOs

Info

ID:	19281
PubChem CID:	559821
Reduced:	BrOSN2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	314.00885
ΔH_f, kcal/mol:	-3.83
Dipole, Da:	2.2
IP(EA), eV:	-8.81(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)morpholine-4-carboximidothioic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)N=C(N2CCOCC2)S

DOS

IR

Vibrations