Geometry & MOs

Info

ID:	134487
PubChem CID:	51704948
Reduced:	F3N3O6C22H28 (1)
Stoich.:	A3B3C6D22E28 (1)
Weight, g/mol:	495.171559
ΔH_f, kcal/mol:	-388.13
Dipole, Da:	8.58
IP(EA), eV:	-9.35(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-oxolan-2-yl]methyl (4R,7R)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

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]1CCC[C@@H]([C@@H]1C)N2C(=O)[C@@](NC2=O)(C(F)(F)F)NC(=O)C3=C(C(=C(C=C3)OC)OC)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

C[C@@H]1CCC[C@@H]([C@@H]1C)N2C(=O)[C@@](NC2=O)(C(F)(F)F)NC(=O)C3=C(C(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):