Geometry & MOs

Info

ID:	56006
PubChem CID:	17402545
Reduced:	FN2O4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	402.027889
ΔH_f, kcal/mol:	-193.89
Dipole, Da:	1.85
IP(EA), eV:	-9.3(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(NC(=O)N1CCOC)C2=CC=C(C=C2)F)C(=O)OC

DOS

IR

Vibrations