Geometry & MOs

Info

ID:	208445
PubChem CID:	80530996
Reduced:	ClNSBr2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	332.93899
ΔH_f, kcal/mol:	49.6
Dipole, Da:	2.23
IP(EA), eV:	-9.47(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)C(C2=CC(=C(S2)Br)Cl)N

DOS

IR

Vibrations