Geometry & MOs

Info

ID:	436623
PubChem CID:	135206229
Reduced:	N2O4C9H16 (2)
Stoich.:	A2B4C9D16 (2)
Weight, g/mol:	586.308597
ΔH_f, kcal/mol:	-361.15
Dipole, Da:	4.01
IP(EA), eV:	-9.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[6-(7-azaspiro[3.5]nonan-7-ylmethyl)-2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-(5-fluoropyridin-3-yl)pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]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

C1=CC(=CC=C1CC(C(=O)O)N)O.C(CCN)CC(C(=O)O)N.C(C(C(=O)O)N)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

C1=CC(=CC=C1CC(C(=O)O)N)O.C(CCN)CC(C(=O)O)N.C(C(C(=O)O)N)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):