Geometry & MOs

Info

ID:	31468
PubChem CID:	855757
Reduced:	SN2O2C17H24 (1)
Stoich.:	AB2C2D17E24 (1)
Weight, g/mol:	333.089561
ΔH_f, kcal/mol:	-100.24
Dipole, Da:	4.91
IP(EA), eV:	-9.19(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CC3CCCCC3)C

DOS

IR

Vibrations