Geometry & MOs

Info

ID:	196332
PubChem CID:	78812461
Reduced:	OSN5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	337.088498
ΔH_f, kcal/mol:	45.72
Dipole, Da:	3.93
IP(EA), eV:	-8.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations