Geometry & MOs

Info

ID:	298783
PubChem CID:	117656767
Reduced:	NCl2O4C26H31 (1)
Stoich.:	AB2C4D26E31 (1)
Weight, g/mol:	507.194314
ΔH_f, kcal/mol:	-175.71
Dipole, Da:	5.91
IP(EA), eV:	-9.5(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2-hydroxy-2-methoxyethyl)-1-[(2S,3S)-1-hydroxy-2-methylpentan-3-yl]-3-methylpiperidin-2-one

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

CCC(C(=O)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(CO)O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl

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

CCC(C(=O)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(CO)O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):