Geometry & MOs

Info

ID:	156506
PubChem CID:	56370914
Reduced:	S2O3N4C22H26 (1)
Stoich.:	A2B3C4D22E26 (1)
Weight, g/mol:	441.99982
ΔH_f, kcal/mol:	-63.84
Dipole, Da:	7.14
IP(EA), eV:	-8.59(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(4-bromophenyl)sulfonyl-2-methylpropanoyl]amino]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=NN=C(N3C)C(C)C

DOS

IR

Vibrations