Geometry & MOs

Info

ID:	31277
PubChem CID:	855518
Reduced:	NH4C5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	319.029459
ΔH_f, kcal/mol:	149.26
Dipole, Da:	5.87
IP(EA), eV:	-8.17(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations