Geometry & MOs

Info

ID:	434969
PubChem CID:	135176085
Reduced:	ClF2S2N3O6C34H40 (1)
Stoich.:	AB2C2D3E6F34G40 (1)
Weight, g/mol:	350.132965
ΔH_f, kcal/mol:	-334.66
Dipole, Da:	6.3
IP(EA), eV:	-9.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3,3-difluoro-2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC=C(S3)Cl)(F)F)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6

DOS

IR

Vibrations