Geometry & MOs

Info

ID:	232889
PubChem CID:	87577422
Reduced:	ClFS2N3O4C21H21 (1)
Stoich.:	ABC2D3E4F21G21 (1)
Weight, g/mol:	374.162187
ΔH_f, kcal/mol:	-146.67
Dipole, Da:	4.16
IP(EA), eV:	-9.72(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N(CCC1=CC(=C(S1)S(=O)(=O)C2=CN=C(C=C2)Cl)C3=C(N=CC=C3)F)C(=O)O

DOS

IR

Vibrations