Geometry & MOs

Info

ID:	390896
PubChem CID:	135001466
Reduced:	O2H14C17 (1)
Stoich.:	A2B14C17 (1)
Weight, g/mol:	517.065437
ΔH_f, kcal/mol:	-11.9
Dipole, Da:	4.85
IP(EA), eV:	-9.1(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxy-5-(4-nitro-5-oxo-5-phenylpent-1-en-3-yl)-2-(trifluoromethylsulfonyloxy)benzoate

Drug info:

PubChemData

Smile

CC1=CCC2(C3=CC=CC=C3C(=O)C4=C2C1=CO4)C

DOS

IR

Vibrations