Geometry & MOs

Info

ID:	234247
PubChem CID:	92298009
Reduced:	BrNO5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	528.19436
ΔH_f, kcal/mol:	-133.03
Dipole, Da:	8.53
IP(EA), eV:	-9.74(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/2\[C@@H](N(C(=O)C2=O)CCCC(=O)O)C3=CC=C(C=C3)Br)/O

DOS

IR

Vibrations