Geometry & MOs

Info

ID:	192985
PubChem CID:	78332243
Reduced:	N4O5C20H34 (1)
Stoich.:	A4B5C20D34 (1)
Weight, g/mol:	418.136257
ΔH_f, kcal/mol:	-266.56
Dipole, Da:	5.65
IP(EA), eV:	-9.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)methyl]-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCCCCC(CCCCC1)NC(=O)C(CO)NC(=O)C2CNC(=O)NC2=O

DOS

IR

Vibrations