Geometry & MOs

Info

ID:

234074

PubChem CID:

92297669

Reduced:

SO3N6C30H32 (1)

Stoich.:

AB3C6D30E32 (1)

Weight, g/mol:

532.189275

ΔHf, kcal/mol:

-20.01

Dipole, Da:

6.95

IP(EA), eV:

 -8.4(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-(2,3-dimethylphenyl)-5-N-[(1S)-2-(2-methoxyethylamino)-2-oxo-1-quinolin-6-ylethyl]-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N([C@@H](C2=CC=C(C=C2)N(C)C)C(=O)NCC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N)C

DOS

IR

Vibrations