Geometry & MOs

Info

ID:	362074
PubChem CID:	127305686
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	382.171499
ΔH_f, kcal/mol:	24.52
Dipole, Da:	3.85
IP(EA), eV:	-9.08(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C(CCC2)N(C)C(=O)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations