Geometry & MOs

Info

ID:	56171
PubChem CID:	17422341
Reduced:	SN2O3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	365.040104
ΔH_f, kcal/mol:	-55.61
Dipole, Da:	2.72
IP(EA), eV:	-8.74(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl 2-chloro-6-fluorobenzoate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=NC=CS3

DOS

IR

Vibrations