Geometry & MOs

Info

ID:	312183
PubChem CID:	126603479
Reduced:	S2O5N6C30H50 (1)
Stoich.:	A2B5C6D30E50 (1)
Weight, g/mol:	443.061902
ΔH_f, kcal/mol:	-223.94
Dipole, Da:	7.68
IP(EA), eV:	-9.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-[(1E)-1-(4-cyano-2-methylpyrazol-3-yl)buta-1,3-dien-2-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CCC(CCC(CC)NC(=O)OCC1=CN=CS1)NC(=O)C(C(C)OCC(C)C)NC(=O)N(C)CC2=CSC(=N2)C(C)C

DOS

IR

Vibrations