Geometry & MOs

Info

ID:	205656
PubChem CID:	80132197
Reduced:	BrOF2N2H11C13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	349.99
ΔH_f, kcal/mol:	-86.29
Dipole, Da:	3.68
IP(EA), eV:	-9.88(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-sulfanylidenepropyl)-4-bromo-N-ethyl-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C#N)C(=O)C2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations