Geometry & MOs

Info

ID:	140323
PubChem CID:	52682006
Reduced:	SO2N5C24H31 (1)
Stoich.:	AB2C5D24E31 (1)
Weight, g/mol:	479.202482
ΔH_f, kcal/mol:	-30.93
Dipole, Da:	4.15
IP(EA), eV:	-8.67(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN=C1SC)CCCNC(=O)CCNC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations