Geometry & MOs

Info

ID:	329265
PubChem CID:	126733504
Reduced:	SF2N6C16H16 (1)
Stoich.:	AB2C6D16E16 (1)
Weight, g/mol:	351.171355
ΔH_f, kcal/mol:	29.09
Dipole, Da:	1.91
IP(EA), eV:	-8.92(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2-chloro-5-prop-2-enylpyrimidin-4-yl)amino]-3-(1-methylcyclopentyl)propanoate

Drug info:

PubChemData

Smile

C1CC1NSCCNC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)F

DOS

IR

Vibrations