Geometry & MOs

Info

ID:	190628
PubChem CID:	78033801
Reduced:	FOSN5C15H16 (1)
Stoich.:	ABCD5E15F16 (1)
Weight, g/mol:	450.1647
ΔH_f, kcal/mol:	3.91
Dipole, Da:	7.59
IP(EA), eV:	-9.15(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=NN1)C2=CC3=NC(=NC(=O)C3S2)CN4CCC(C4)F

DOS

IR

Vibrations