Geometry & MOs

Info

ID:	182165
PubChem CID:	76855089
Reduced:	S2O3N4C22H26 (1)
Stoich.:	A2B3C4D22E26 (1)
Weight, g/mol:	479.10704
ΔH_f, kcal/mol:	-58.65
Dipole, Da:	4.03
IP(EA), eV:	-8.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-2-oxo-7,8-dihydro-6H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=NC(=CS1)C=C2CCCC(=CC3=CSC(=N3)N(CC)C(=O)C)C2=O)C(=O)C

DOS

IR

Vibrations