Geometry & MOs

Info

ID:	197622
PubChem CID:	78983839
Reduced:	BrClN2O2S2H8C10 (1)
Stoich.:	ABC2D2E2F8G10 (1)
Weight, g/mol:	323.93905
ΔH_f, kcal/mol:	-27.64
Dipole, Da:	4.94
IP(EA), eV:	-9.01(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]thieno[3,2-c]pyridin-4-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C(N=C(S1)NCC2=C(C=CS2)Br)Cl

DOS

IR

Vibrations