Geometry & MOs

Info

ID:	264012
PubChem CID:	103416150
Reduced:	ClN2O2S2C9H15 (1)
Stoich.:	AB2C2D2E9F15 (1)
Weight, g/mol:	388.9449
ΔH_f, kcal/mol:	-79.23
Dipole, Da:	4.76
IP(EA), eV:	-9.84(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2,4-dibromo-5-methoxyphenyl)furan-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CCC(CCCl)NS(=O)(=O)C1=CN=C(S1)C

DOS

IR

Vibrations