Geometry & MOs

Info

ID:

234141

PubChem CID:

92297809

Reduced:

SO3N6C29H30 (1)

Stoich.:

AB3C6D29E30 (1)

Weight, g/mol:

580.189275

ΔHf, kcal/mol:

-37.77

Dipole, Da:

3.12

IP(EA), eV:

 -8.82(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N([C@H](C2=CC3=C(C=C2)N=CC=C3)C(=O)NC4CCCCC4)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations