Geometry & MOs

Info

ID:	157571
PubChem CID:	56435786
Reduced:	ClOF3N5C23H31 (1)
Stoich.:	ABC3D5E23F31 (1)
Weight, g/mol:	422.198777
ΔH_f, kcal/mol:	-183.12
Dipole, Da:	5.13
IP(EA), eV:	-8.96(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C(C)(C)C

DOS

IR

Vibrations