Geometry & MOs

Info

ID:	153684
PubChem CID:	56312975
Reduced:	O2F3N5C19H22 (1)
Stoich.:	A2B3C5D19E22 (1)
Weight, g/mol:	418.113333
ΔH_f, kcal/mol:	-186.1
Dipole, Da:	3.74
IP(EA), eV:	-9.73(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-tert-butylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCC(CC2)NC(=O)C3=CN=CC=C3)C(F)(F)F

DOS

IR

Vibrations