Geometry & MOs

Info

ID:	315954
PubChem CID:	126629483
Reduced:	N2O8C35H42 (1)
Stoich.:	A2B8C35D42 (1)
Weight, g/mol:	602.299202
ΔH_f, kcal/mol:	-266.36
Dipole, Da:	9.08
IP(EA), eV:	-9.38(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(7R,8R,9S)-7,8-dibenzyl-9-methyl-2-oxooxonan-3-yl]carbamoyl]-4-methoxypyridin-3-yl]oxymethyl 2-methylpropanoate

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

CCOCC(=O)OCOC1=C(C=CN=C1C(=O)NC2CCC[C@@H]([C@H]([C@@H](OC2=O)C)CC3=CC=CC=C3)CC4=CC=CC=C4)OC

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

CCOCC(=O)OCOC1=C(C=CN=C1C(=O)NC2CCC[C@@H]([C@H]([C@@H](OC2=O)C)CC3=CC=CC=C3)CC4=CC=CC=C4)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):