Geometry & MOs

Info

ID:	132445
PubChem CID:	51362865
Reduced:	ClSN2O3H13C23 (1)
Stoich.:	ABC2D3E13F23 (1)
Weight, g/mol:	399.174239
ΔH_f, kcal/mol:	6.91
Dipole, Da:	2.63
IP(EA), eV:	-9.01(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl 4-(thiophene-2-carbonylamino)benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3N2C(=O)/C(=C/C4=CC(=CC=C4)OC(=O)C5=CC=C(C=C5)Cl)/S3

DOS

IR

Vibrations