Geometry & MOs

Info

ID:	236342
PubChem CID:	92712436
Reduced:	SN3O4C21H29 (1)
Stoich.:	AB3C4D21E29 (1)
Weight, g/mol:	447.219178
ΔH_f, kcal/mol:	-172.15
Dipole, Da:	4.17
IP(EA), eV:	-9.87(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclooctyl-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]pentanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NC1CCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3

DOS

IR

Vibrations