Geometry & MOs

Info

ID:	32582
PubChem CID:	7846085
Reduced:	NCl2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	333.125946
ΔH_f, kcal/mol:	-145.02
Dipole, Da:	3.81
IP(EA), eV:	-9.08(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations