Geometry & MOs

Info

ID:	204617
PubChem CID:	79988957
Reduced:	BrN2O2S3C12H17 (1)
Stoich.:	AB2C2D3E12F17 (1)
Weight, g/mol:	314.9751
ΔH_f, kcal/mol:	-49.84
Dipole, Da:	4.77
IP(EA), eV:	-8.8(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC2(CCCCC2)C(=S)N)Br

DOS

IR

Vibrations