Geometry & MOs

Info

ID:	156735
PubChem CID:	56373996
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	443.97908
ΔH_f, kcal/mol:	-36.99
Dipole, Da:	5.93
IP(EA), eV:	-8.88(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-5-[[2-(3-fluoroanilino)-2-oxoethyl]sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)NC(C2=CC=CC=C2)C3=NC4=CC=CC=C4N3C)C)OC

DOS

IR

Vibrations