Geometry & MOs

Info

ID:	321899
PubChem CID:	126667242
Reduced:	SF2O2N8C25H26 (1)
Stoich.:	AB2C2D8E25F26 (1)
Weight, g/mol:	277.044046
ΔH_f, kcal/mol:	-5.34
Dipole, Da:	11.24
IP(EA), eV:	-8.21(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloropyrimidin-4-yl)-2,5,6-trimethylthieno[2,3-b]pyrrole

Drug info:

PubChemData

Smile

CN1C2=C(C(=N1)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N5CC(C5)N(C)C)OC(F)F)SC=C2

DOS

IR

Vibrations