Geometry & MOs

Info

ID:	229364
PubChem CID:	87567479
Reduced:	N2O2C7H10 (2)
Stoich.:	A2B2C7D10 (2)
Weight, g/mol:	594.12486
ΔH_f, kcal/mol:	-126.74
Dipole, Da:	10.73
IP(EA), eV:	-8.67(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

difluoromethyl-[4-[(2S)-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-2-(methanesulfonamido)-3-oxopropyl]phenoxy]phosphinic acid

Drug info:

PubChemData

Smile

C/C(=C/1\C=CC(=O)C=C1O)/NC(CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations