Geometry & MOs

Info

ID:	151315
PubChem CID:	53801052
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	403.045487
ΔH_f, kcal/mol:	-105.84
Dipole, Da:	8.67
IP(EA), eV:	-9.28(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[difluoro-[3-(methanesulfonamido)-4-(2-phenylethenyl)phenyl]methyl]phosphonic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)C=CC(=O)C2CCC(=O)C=C2

DOS

IR

Vibrations