Geometry & MOs

Info

ID:	404186
PubChem CID:	135065371
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	448.105131
ΔH_f, kcal/mol:	-212.04
Dipole, Da:	1.8
IP(EA), eV:	-9.24(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-diphenylphosphoryloxy-3-[4-(trifluoromethyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C(C(=O)OC)OC(=O)C)NC(=O)C

DOS

IR

Vibrations