Geometry & MOs

Info

ID:	352738
PubChem CID:	127283827
Reduced:	O2N3S3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	351.107519
ΔH_f, kcal/mol:	24.95
Dipole, Da:	5.53
IP(EA), eV:	-8.43(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1-oxo-1,4-thiazinan-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CS(=O)CCN1CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

DOS

IR

Vibrations