Geometry & MOs

Info

ID:	186324
PubChem CID:	77421224
Reduced:	FNO4C23H26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	466.199153
ΔH_f, kcal/mol:	-210.45
Dipole, Da:	1.81
IP(EA), eV:	-9.22(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-4-oxo-3-[(4-phenylphenyl)methyl]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(CC(C1=O)CO)CC2=CC=C(C=C2)C3=CC(=CC=C3)F

DOS

IR

Vibrations