Geometry & MOs

Info

ID:	184180
PubChem CID:	77126415
Reduced:	SN3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	303.050004
ΔH_f, kcal/mol:	62.8
Dipole, Da:	6.43
IP(EA), eV:	-8.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(aminomethyl)phenyl]sulfanylmethyl]-4aH-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(C2C1CNC2)C3=C4C=CC=CC4=NS3

DOS

IR

Vibrations