Geometry & MOs

Info

ID:	33847
PubChem CID:	7888439
Reduced:	N3O5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	342.086056
ΔH_f, kcal/mol:	-186.53
Dipole, Da:	6.47
IP(EA), eV:	-8.79(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-oxan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)NC(=O)CN2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations