Geometry & MOs

Info

ID:	233309
PubChem CID:	89649951
Reduced:	N2O6C7H16 (1)
Stoich.:	A2B6C7D16 (1)
Weight, g/mol:	737.12196
ΔH_f, kcal/mol:	-284.34
Dipole, Da:	5.79
IP(EA), eV:	-10.21(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-5-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl]propanoic 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

C([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)NC(=O)N

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

C([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)NC(=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):