Geometry & MOs

Info

ID:	157408
PubChem CID:	56424027
Reduced:	SN2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	365.156184
ΔH_f, kcal/mol:	-63.88
Dipole, Da:	3.03
IP(EA), eV:	-9.01(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1OCC(=O)NCCCC2=NC3=C(S2)CCCC3

DOS

IR

Vibrations