Geometry & MOs

Info

ID:	329195
PubChem CID:	126731857
Reduced:	BrS2N3O4C21H22 (1)
Stoich.:	AB2C3D4E21F22 (1)
Weight, g/mol:	165.090212
ΔH_f, kcal/mol:	-73.22
Dipole, Da:	4.7
IP(EA), eV:	-9.05(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-4-methoxy-6-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C=C/C=C\OC(CO)[C@H]1CSC(=N[C@]1(CO)C2=NC(=CS2)Br)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations