Geometry & MOs

Info

ID:	232503
PubChem CID:	87576331
Reduced:	SO5C7H10 (1)
Stoich.:	AB5C7D10 (1)
Weight, g/mol:	373.130553
ΔH_f, kcal/mol:	-190.95
Dipole, Da:	5.0
IP(EA), eV:	-10.57(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-4-chloro-7-[(4-ethyl-3,5-dimethylpyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C/C(=C\CC=C)/C(=O)OS(=O)(=O)O

DOS

IR

Vibrations