Geometry & MOs

Info

ID:	192782
PubChem CID:	78312140
Reduced:	SO3N6C21H22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	355.07391
ΔH_f, kcal/mol:	-70.79
Dipole, Da:	1.8
IP(EA), eV:	-8.64(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2,4-dioxo-1,3-diazinan-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(=O)N1)NC(=O)CSC2=C(C=CC=N2)C3=NC4=C(N3)C=C(C(=C4)C)C

DOS

IR

Vibrations