Geometry & MOs

Info

ID:	31369
PubChem CID:	855629
Reduced:	SO2N5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	343.110296
ΔH_f, kcal/mol:	49.17
Dipole, Da:	6.15
IP(EA), eV:	-9.19(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

DOS

IR

Vibrations