Geometry & MOs

Info

ID:	329528
PubChem CID:	126737837
Reduced:	PN2S3O6C67H140 (1)
Stoich.:	AB2C3D6E67F140 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-567.54
Dipole, Da:	2.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.763712
Charge, e:	0

Chem-info

IUPAC name:

2,2,4,4-tetramethyl-N-quinolin-8-yl-6-[(2-sulfanylacetyl)amino]hexanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSC(CCCCCCCCC)CCCCCCCCOP(=O)(NCC[N+](C)(C)CCCS(=O)(=O)O)OCCCCCCCCC(CCCCCCCCC)SCCCCCCCCCCCC

DOS

IR

Vibrations