Geometry & MOs

Info

ID:	56900
PubChem CID:	22394801
Reduced:	BrSN2O4C27H37 (1)
Stoich.:	ABC2D4E27F37 (1)
Weight, g/mol:	452.118812
ΔH_f, kcal/mol:	-153.49
Dipole, Da:	5.27
IP(EA), eV:	-8.26(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydroxy-1-pyridin-4-ylnon-8-yn-2-yl)-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(C(CCSC)O)O)Br

DOS

IR

Vibrations