Geometry & MOs

Info

ID:	160166
PubChem CID:	57304888
Reduced:	PO5C16H22 (1)
Stoich.:	AB5C16D22 (1)
Weight, g/mol:	445.990228
ΔH_f, kcal/mol:	-226.39
Dipole, Da:	2.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753800
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-3-methyl-4-oxo-2-phenylmethoxycarbonyl-4-(2,2,2-trichloroethoxy)butanoic acid

Drug info:

PubChemData

Smile

CC(CCC1=C(CCO1)[P+](CC2=CC=CC=C2)(O)O)C(=O)O

DOS

IR

Vibrations