Geometry & MOs

Info

ID:	55569
PubChem CID:	17395574
Reduced:	OSN5H17C18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	91.45
Dipole, Da:	6.22
IP(EA), eV:	-8.59(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylpropyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NNC3=NC4=CC=CC=C4N32

DOS

IR

Vibrations