Geometry & MOs

Info

ID:	359742
PubChem CID:	127299689
Reduced:	N2S2O4C17H28 (1)
Stoich.:	A2B2C4D17E28 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-204.73
Dipole, Da:	6.92
IP(EA), eV:	-8.89(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-thiazepane-4-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NC2CCS(=O)(=O)C2)C(=O)N3CCCSCC3

DOS

IR

Vibrations