Geometry & MOs

Info

ID:	204517
PubChem CID:	79976339
Reduced:	BrOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	353.87061
ΔH_f, kcal/mol:	14.92
Dipole, Da:	3.95
IP(EA), eV:	-8.24(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[bromo-(3-ethylthiophen-2-yl)methyl]-2,5-dichlorothiophene

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)N(C)C2=CC=C(C=C2)N)Br

DOS

IR

Vibrations