Geometry & MOs

Info

ID:	31594
PubChem CID:	855914
Reduced:	ClON2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	313.099731
ΔH_f, kcal/mol:	20.71
Dipole, Da:	3.95
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1C(=NC2=CC(=CC=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations