Geometry & MOs

Info

ID:	235960
PubChem CID:	92711182
Reduced:	FO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	445.109627
ΔH_f, kcal/mol:	-135.0
Dipole, Da:	5.29
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-N-(1,3-benzothiazol-2-yl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C1=O)CCC(=O)NC[C@@H]3CCCO3)C)C(=NN2C4=CC(=CC=C4)F)C

DOS

IR

Vibrations