Geometry & MOs

Info

ID:	234135
PubChem CID:	92297799
Reduced:	SO3N6C28H28 (1)
Stoich.:	AB3C6D28E28 (1)
Weight, g/mol:	542.21001
ΔH_f, kcal/mol:	-28.1
Dipole, Da:	3.07
IP(EA), eV:	-8.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-N-[(1S)-2-(cyclohexylamino)-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)NC4CCCC4)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations