Geometry & MOs

Info

ID:	155365
PubChem CID:	56352965
Reduced:	SO3N5C25H31 (1)
Stoich.:	AB3C5D25E31 (1)
Weight, g/mol:	469.07832
ΔH_f, kcal/mol:	-53.29
Dipole, Da:	5.75
IP(EA), eV:	-9.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2S)-3-methyl-1-oxo-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]butan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)N4C=NC=N4

DOS

IR

Vibrations