Geometry & MOs

Info

ID:

234251

PubChem CID:

92298026

Reduced:

O3N7H33C36 (1)

Stoich.:

A3B7C33D36 (1)

Weight, g/mol:

594.168539

ΔHf, kcal/mol:

67.79

Dipole, Da:

3.62

IP(EA), eV:

 -8.61(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)[C@@H](C(=O)NCC3=CC=CC=C3)N(C4=CC5=CC=CC=C5N=C4)C(=O)CN6C7=CC=CC=C7N=N6

DOS

IR

Vibrations