Geometry & MOs

Info

ID:	232182
PubChem CID:	87575653
Reduced:	OSiC3Cl3H5 (1)
Stoich.:	ABC3D3E5 (1)
Weight, g/mol:	375.146203
ΔH_f, kcal/mol:	-111.39
Dipole, Da:	1.17
IP(EA), eV:	-8.77(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-4-chloro-7-[(4-ethyl-3,5-dimethylpyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetic acid

Drug info:

PubChemData

Smile

C(CO[Si]Cl)C(Cl)Cl

DOS

IR

Vibrations