Geometry & MOs

Info

ID:	123606
PubChem CID:	50855580
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	317.131031
ΔH_f, kcal/mol:	17.57
Dipole, Da:	3.37
IP(EA), eV:	-8.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)/C=N\NC(=O)CCC2=CC=CC=C2

DOS

IR

Vibrations