Geometry & MOs

Info

ID:	69156
PubChem CID:	46525634
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	431.12634
ΔH_f, kcal/mol:	-24.43
Dipole, Da:	6.43
IP(EA), eV:	-9.12(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)SC(=N2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations