Geometry & MOs

Info

ID:	366461
PubChem CID:	127319950
Reduced:	SO2N4C17H30 (1)
Stoich.:	AB2C4D17E30 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-74.16
Dipole, Da:	4.79
IP(EA), eV:	-8.08(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-propan-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCC(=O)NCC(C)(C)N2CCS(=O)CC2

DOS

IR

Vibrations