Geometry & MOs

Info

ID:	43705
PubChem CID:	10321674
Reduced:	FN3O4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	453.135842
ΔH_f, kcal/mol:	-129.91
Dipole, Da:	11.16
IP(EA), eV:	-8.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-oxo-3-[[5-(quinoline-2-carbonylamino)-2-thiophen-2-ylpentanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)NC(=O)C

DOS

IR

Vibrations