Geometry & MOs

Info

ID:	228698
PubChem CID:	87565564
Reduced:	N3O5C29H30 (1)
Stoich.:	A3B5C29D30 (1)
Weight, g/mol:	560.18878
ΔH_f, kcal/mol:	-47.52
Dipole, Da:	5.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.548182
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C[N+](CCO1)(C=O)C2=CC=CC(=C2)C3=C4C(=CC=C3)N=C(C=N4)C5=CC(=C(C(=C5)OC)OC)OC

DOS

IR

Vibrations