Geometry & MOs

Info

ID:	270145
PubChem CID:	103630409
Reduced:	BrSO2N3C14H14 (1)
Stoich.:	ABC2D3E14F14 (1)
Weight, g/mol:	307.060232
ΔH_f, kcal/mol:	14.9
Dipole, Da:	0.84
IP(EA), eV:	-9.19(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-N'-hydroxycarbamimidoyl]-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)NCCC2=CC=C(S2)Br)/C(=N\O)/N

DOS

IR

Vibrations