Geometry & MOs

Info

ID:	56501
PubChem CID:	17435984
Reduced:	FSO2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	333.071802
ΔH_f, kcal/mol:	-48.71
Dipole, Da:	7.1
IP(EA), eV:	-8.9(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(N=C1C)SCC2=NOC(=C2C)C3=CC=C(C=C3)F)C(=O)N)C

DOS

IR

Vibrations