Geometry & MOs

Info

ID:	140321
PubChem CID:	52682004
Reduced:	OSN3C10H14 (2)
Stoich.:	ABC3D10E14 (2)
Weight, g/mol:	464.116367
ΔH_f, kcal/mol:	5.95
Dipole, Da:	6.2
IP(EA), eV:	-8.61(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-4-(trifluoromethylsulfonyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN=C1SC)CCCNC(=O)C2=CC=C(O2)CSC3=NC=CN3C

DOS

IR

Vibrations