Geometry & MOs

Info

ID:	368880
PubChem CID:	127330850
Reduced:	SO2N4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	363.107519
ΔH_f, kcal/mol:	-79.5
Dipole, Da:	5.68
IP(EA), eV:	-8.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(CC2=O)C(=O)NCCC3=CSC(=N3)N4CCCC4

DOS

IR

Vibrations