Geometry & MOs

Info

ID:	149480
PubChem CID:	53789153
Reduced:	N2O4C7H12 (2)
Stoich.:	A2B4C7D12 (2)
Weight, g/mol:	606.27413
ΔH_f, kcal/mol:	-348.82
Dipole, Da:	3.87
IP(EA), eV:	-9.46(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-1-[2-(2,6-diethyl-4-fluoroanilino)-2-oxoethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic 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

C1CCC(C(C1)(N)N(CC(=O)O)CC(=O)O)(N)N(CC(=O)O)CC(=O)O

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

C1CCC(C(C1)(N)N(CC(=O)O)CC(=O)O)(N)N(CC(=O)O)CC(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):