Geometry & MOs

Info

ID:	35383
PubChem CID:	7979790
Reduced:	N2S2O3C20H24 (1)
Stoich.:	A2B2C3D20E24 (1)
Weight, g/mol:	380.01604
ΔH_f, kcal/mol:	-80.02
Dipole, Da:	5.92
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-cyanoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCSC3=CC=CC=C3

DOS

IR

Vibrations