Geometry & MOs

Info

ID:

234203

PubChem CID:

92297915

Reduced:

SO3N7C27H27 (1)

Stoich.:

AB3C7D27E27 (1)

Weight, g/mol:

572.184189

ΔHf, kcal/mol:

-11.16

Dipole, Da:

4.23

IP(EA), eV:

 -8.88(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-(1,3-benzodioxol-5-yl)-5-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)[C@@H](C2=CC3=C(C=C2)N=CC=C3)N(CC4=CN=CC=C4)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations