Geometry & MOs

Info

ID:	171976
PubChem CID:	75449323
Reduced:	BrN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-82.76
Dipole, Da:	3.91
IP(EA), eV:	-9.35(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)methyl 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC(=C2)Br)OC(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations