Geometry & MOs

Info

ID:	26205
PubChem CID:	641068
Reduced:	ClSN2O3H15C18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	374.049191
ΔH_f, kcal/mol:	-42.49
Dipole, Da:	2.87
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-8-methoxy-5-oxa-11-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-(4-chlorophenyl)methanone

Drug info:

PubChemData

Smile

COC1=NC(=C(C2=C1CSCC2)C#N)OCC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations