Geometry & MOs

Info

ID:	194212
PubChem CID:	78498138
Reduced:	FN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	328.088164
ΔH_f, kcal/mol:	-88.75
Dipole, Da:	4.77
IP(EA), eV:	-9.35(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-4aH-thieno[3,2-d]pyrimidin-2-yl)methyl 2-phenylbutanoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC=CC=C1)OC2=C(C=CC(=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations