Geometry & MOs

Info

ID:	62574
PubChem CID:	26719887
Reduced:	SF3O3N6C17H17 (1)
Stoich.:	AB3C3D6E17F17 (1)
Weight, g/mol:	401.97075
ΔH_f, kcal/mol:	-180.13
Dipole, Da:	3.14
IP(EA), eV:	-9.62(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromothiophen-2-yl)-N-(3-sulfamoylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

DOS

IR

Vibrations