Geometry & MOs

Info

ID:	228852
PubChem CID:	87565968
Reduced:	PSF2N2O6C30H31 (1)
Stoich.:	ABC2D2E6F30G31 (1)
Weight, g/mol:	601.1248
ΔH_f, kcal/mol:	-331.63
Dipole, Da:	7.86
IP(EA), eV:	-9.28(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2S)-3-(4-anilinoanilino)-2-(benzenesulfonamido)-3-oxopropyl]phenoxy]-(difluoromethyl)phosphinic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCNC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations