Geometry & MOs

Info

ID:	342907
PubChem CID:	127266070
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	347.01908
ΔH_f, kcal/mol:	-40.51
Dipole, Da:	6.4
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)sulfonyl-N-butan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)S(=O)(=O)NC2=CC=CC3=C2C=CN=C3OC

DOS

IR

Vibrations