Geometry & MOs

Info

ID:	229548
PubChem CID:	87567992
Reduced:	NO3C5H9 (1)
Stoich.:	AB3C5D9 (1)
Weight, g/mol:	419.116444
ΔH_f, kcal/mol:	-139.72
Dipole, Da:	4.13
IP(EA), eV:	-10.2(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(4-acetamidophenyl)-6-amino-5-cyanopyrimidin-2-yl]-sulfanylmethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C)NC(=O)O

DOS

IR

Vibrations