Geometry & MOs

Info

ID:	155136
PubChem CID:	56320739
Reduced:	BrSN3O5C19H22 (1)
Stoich.:	ABC3D5E19F22 (1)
Weight, g/mol:	474.139548
ΔH_f, kcal/mol:	-166.46
Dipole, Da:	5.6
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C(=O)NCCCNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations