Geometry & MOs

Info

ID:	167229
PubChem CID:	74795991
Reduced:	ClSN2O3H21C26 (1)
Stoich.:	ABC2D3E21F26 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-39.24
Dipole, Da:	5.36
IP(EA), eV:	-9.53(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-6H-1,2,4-triazin-6-yl]-N-(2-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations