Geometry & MOs

Info

ID:	229504
PubChem CID:	87567867
Reduced:	O4C25H48 (1)
Stoich.:	A4B25C48 (1)
Weight, g/mol:	490.055167
ΔH_f, kcal/mol:	-270.55
Dipole, Da:	3.35
IP(EA), eV:	-10.44(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-methyl-2-(pyridin-4-ylmethylsulfonyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCCCC(C(C)CC)(C(C)CC)C(CCCCCCC(=O)O)C(=O)O

DOS

IR

Vibrations