Geometry & MOs

Info

ID:	56532
PubChem CID:	17436135
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	339.095395
ΔH_f, kcal/mol:	-31.38
Dipole, Da:	4.5
IP(EA), eV:	-8.33(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CN2CCCC2C3=CC=CS3

DOS

IR

Vibrations