Geometry & MOs

Info

ID:	367792
PubChem CID:	127325828
Reduced:	ClSN2O3H15C16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	358.109962
ΔH_f, kcal/mol:	-55.19
Dipole, Da:	4.62
IP(EA), eV:	-9.2(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanooxan-4-yl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2(CCC2)NC(=O)C3=CC4=C(C(=C3)Cl)OCO4

DOS

IR

Vibrations