Geometry & MOs

Info

ID:	187238
PubChem CID:	77548957
Reduced:	ClON2F3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	511.214092
ΔH_f, kcal/mol:	-182.22
Dipole, Da:	5.84
IP(EA), eV:	-8.52(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)methyl]-N-(2-hydroxycyclohexyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

Drug info:

PubChemData

Smile

CNCC(C(C1=CC(=CC=C1)C(F)(F)F)N2C=CC3=CC=CC=C32)O.Cl

DOS

IR

Vibrations