Geometry & MOs

Info

ID:	448459
PubChem CID:	135291075
Reduced:	S3N4O10C35H64 (1)
Stoich.:	A3B4C10D35E64 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-524.59
Dipole, Da:	16.49
IP(EA), eV:	-8.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(5-piperidin-1-ylquinolin-8-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C(C(=O)O)C(C)(C)CC(C(C(=O)NCCNC(=O)CCCCC1CCSS1)C(C)(C)C)C(=O)O)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]

DOS

IR

Vibrations