Geometry & MOs

Info

ID:	43913
PubChem CID:	10321974
Reduced:	SO4N5C22H29 (1)
Stoich.:	AB4C5D22E29 (1)
Weight, g/mol:	459.172896
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	2.87
IP(EA), eV:	-9.82(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methylquinolin-4-yl)methoxy]-N-[(1R,2S)-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)cyclopentyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)N=[N+]=[N-])CCC(=O)O

DOS

IR

Vibrations