Geometry & MOs

Info

ID:	132715
PubChem CID:	51406362
Reduced:	N2O6C27H36 (1)
Stoich.:	A2B6C27D36 (1)
Weight, g/mol:	457.210052
ΔH_f, kcal/mol:	-241.09
Dipole, Da:	6.49
IP(EA), eV:	-7.96(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-O-methyl 3-O-(2-propan-2-yloxyethyl) (4R,6R,7R)-4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

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]1CC2=C([C@@H](C(=C(N2)C)C(=O)OCCOC(C)C)C3=CC=C(C=C3)N(C)C)C(=O)[C@@H]1C(=O)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]1CC2=C([C@@H](C(=C(N2)C)C(=O)OCCOC(C)C)C3=CC=C(C=C3)N(C)C)C(=O)[C@@H]1C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):