Geometry & MOs

Info

ID:	268525
PubChem CID:	103599784
Reduced:	OSBr2N3H11C15 (1)
Stoich.:	ABC2D3E11F15 (1)
Weight, g/mol:	411.00747
ΔH_f, kcal/mol:	71.56
Dipole, Da:	3.39
IP(EA), eV:	-9.16(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromothiophen-3-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1Br)CNC(=O)C=CC3=CSC(=C3)Br

DOS

IR

Vibrations