Geometry & MOs

Info

ID:	269369
PubChem CID:	103617205
Reduced:	ClNSF3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	424.86744
ΔH_f, kcal/mol:	-118.56
Dipole, Da:	3.46
IP(EA), eV:	-9.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CNCCC2=CC=C(S2)Cl

DOS

IR

Vibrations