Geometry & MOs

Info

ID:	49234
PubChem CID:	11532162
Reduced:	NOF7H20C21 (1)
Stoich.:	ABC7D20E21 (1)
Weight, g/mol:	436.102768
ΔH_f, kcal/mol:	-375.2
Dipole, Da:	2.73
IP(EA), eV:	-9.33(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanehydrazide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C2CNCCC2OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations