Geometry & MOs

Info

ID:	47189
PubChem CID:	10530541
Reduced:	N4O5C30H46 (1)
Stoich.:	A4B5C30D46 (1)
Weight, g/mol:	543.182792
ΔH_f, kcal/mol:	-251.4
Dipole, Da:	3.61
IP(EA), eV:	-9.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-3-cyclopropyl-1-propylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)/C(=N\C(=O)OC(C)(C)C)/N)CC(=O)OC(C)(C)C

DOS

IR

Vibrations