Geometry & MOs

Info

ID:	147652
PubChem CID:	53787309
Reduced:	NSO7C14H15 (1)
Stoich.:	ABC7D14E15 (1)
Weight, g/mol:	652.386971
ΔH_f, kcal/mol:	-264.03
Dipole, Da:	4.51
IP(EA), eV:	-9.43(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 7-[(1R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate

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=C2C(=C1)C(=O)N(C2=O)[C@]3([C@H]([C@@H]([C@H](O[C@H]3S)CO)O)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

C1=CC=C2C(=C1)C(=O)N(C2=O)[C@]3([C@H]([C@@H]([C@H](O[C@H]3S)CO)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):