Geometry & MOs

Info

ID:	228702
PubChem CID:	87565571
Reduced:	PF2N2O7C28H31 (1)
Stoich.:	AB2C2D7E28F31 (1)
Weight, g/mol:	580.160851
ΔH_f, kcal/mol:	-397.21
Dipole, Da:	5.85
IP(EA), eV:	-8.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

difluoromethyl-[4-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]phosphinic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCNC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations