Geometry & MOs

Info

ID:	226386
PubChem CID:	87351625
Reduced:	SN2O2F3H17C24 (1)
Stoich.:	AB2C2D3E17F24 (1)
Weight, g/mol:	312.99403
ΔH_f, kcal/mol:	-125.73
Dipole, Da:	3.52
IP(EA), eV:	-8.73(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)NC(=O)C(F)(F)F

DOS

IR

Vibrations