Geometry & MOs

Info

ID:	33852
PubChem CID:	7888461
Reduced:	NO8C21H23 (1)
Stoich.:	AB8C21D23 (1)
Weight, g/mol:	311.05509
ΔH_f, kcal/mol:	-251.99
Dipole, Da:	5.95
IP(EA), eV:	-8.53(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutanenitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CO3

DOS

IR

Vibrations