Geometry & MOs

Info

ID:	342378
PubChem CID:	127265201
Reduced:	ClN2S2O3H5C10 (1)
Stoich.:	AB2C2D3E5F10 (1)
Weight, g/mol:	265.95133
ΔH_f, kcal/mol:	16.65
Dipole, Da:	4.43
IP(EA), eV:	-9.6(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-bromothiophen-2-yl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=C2C(=O)NC(=S)S2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations