Geometry & MOs

Info

ID:	229355
PubChem CID:	87567468
Reduced:	ClON2F3H8C14 (1)
Stoich.:	ABC2D3E8F14 (1)
Weight, g/mol:	602.108816
ΔH_f, kcal/mol:	-113.28
Dipole, Da:	6.26
IP(EA), eV:	-10.34(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2S)-2-(benzenesulfonamido)-3-oxo-3-(3-phenoxyanilino)propyl]phenoxy]-(difluoromethyl)phosphinic acid

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Cl)C(=O)/C=C/C2=CN=C(C=C2)C(F)(F)F

DOS

IR

Vibrations