Geometry & MOs

Info

ID:

134497

PubChem CID:

51706512

Reduced:

BrNO3C19H22 (1)

Stoich.:

ABC3D19E22 (1)

Weight, g/mol:

487.220617

ΔHf, kcal/mol:

-110.98

Dipole, Da:

6.08

IP(EA), eV:

 -8.81(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-(2-ethoxyethyl) 6-O-methyl (4S,6R,7R)-4-(2,4-dimethoxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C3=C(C)C)Br

DOS

IR

Vibrations