Geometry & MOs

Info

ID:	62137
PubChem CID:	26717724
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	443.130363
ΔH_f, kcal/mol:	-98.9
Dipole, Da:	7.64
IP(EA), eV:	-9.1(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)butanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3

DOS

IR

Vibrations