Geometry & MOs

Info

ID:	192041
PubChem CID:	78219299
Reduced:	FSN2O4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	456.091056
ΔH_f, kcal/mol:	-96.61
Dipole, Da:	7.95
IP(EA), eV:	-9.1(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(7,8-dimethyl-2-oxo-4aH-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C2=NC(=O)C(C=C2C=C1)CN(CC3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations