Geometry & MOs

Info

ID:	208438
PubChem CID:	80530260
Reduced:	SCl2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	386.91072
ΔH_f, kcal/mol:	7.38
Dipole, Da:	2.85
IP(EA), eV:	-8.98(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CC(C2=C(C=CS2)Cl)Cl

DOS

IR

Vibrations