Geometry & MOs

Info

ID:	370370
PubChem CID:	127338358
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-81.17
Dipole, Da:	6.13
IP(EA), eV:	-9.01(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)NC(=O)C(=C2)C(=O)NC3CCCC4=CC=CC=C34

DOS

IR

Vibrations