Geometry & MOs

Info

ID:	226920
PubChem CID:	87558949
Reduced:	NCl2O5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	558.245466
ΔH_f, kcal/mol:	-111.26
Dipole, Da:	3.22
IP(EA), eV:	-8.31(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-amino-2-methylpropyl]-[2-methoxy-1-[3-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]phenyl]-2-oxoethoxy]phosphinic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC1=C(C=CC(=C1)C=C(Cl)Cl)OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC1=C(C=CC(=C1)C=C(Cl)Cl)OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):