Geometry & MOs

Info

ID:	125905
PubChem CID:	50943297
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	787.421502
ΔH_f, kcal/mol:	-85.42
Dipole, Da:	6.71
IP(EA), eV:	-8.72(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]-[2-[[2-(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]ethyl-(carboxymethyl)amino]acetic 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

CCC1(C(=O)NC2=C(C=C(C=C2)OCC3=CC=CC=C3)N(C1=O)C)CC

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

CCC1(C(=O)NC2=C(C=C(C=C2)OCC3=CC=CC=C3)N(C1=O)C)CC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):