Geometry & MOs

Info

ID:	122313
PubChem CID:	50802100
Reduced:	SO3N4C25H26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	-40.93
Dipole, Da:	4.4
IP(EA), eV:	-8.35(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4NC5=CC=CC=C5S(=O)(=O)N4

DOS

IR

Vibrations