Geometry & MOs

Info

ID:	69871
PubChem CID:	47205655
Reduced:	N2S2O3C12H18 (1)
Stoich.:	A2B2C3D12E18 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-108.09
Dipole, Da:	6.16
IP(EA), eV:	-9.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(=O)CN2CCS(=O)(=O)CC2

DOS

IR

Vibrations