Geometry & MOs

Info

ID:	205596
PubChem CID:	80124573
Reduced:	NSBr2F2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	438.92395
ΔH_f, kcal/mol:	-56.82
Dipole, Da:	1.74
IP(EA), eV:	-8.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-2,6-difluorophenyl)-(5-bromo-2-methylthiophen-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=C(C=C(C=C1F)Br)F)C2=C(C=C(S2)C)Br

DOS

IR

Vibrations