Geometry & MOs

Info

ID:

134393

PubChem CID:

51689612

Reduced:

ClN4O5H23C25 (1)

Stoich.:

AB4C5D23E25 (1)

Weight, g/mol:

455.140259

ΔHf, kcal/mol:

-77.18

Dipole, Da:

5.93

IP(EA), eV:

 -9.03(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl (4S,6S,7R)-7-(furan-2-yl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCN3C(=O)[C@H]4[C@@H]5C[C@H]([C@H]4C3=O)C=C5)Cl

DOS

IR

Vibrations