Geometry & MOs

Info

ID:	78783
PubChem CID:	49720304
Reduced:	SO3N6C16H16 (1)
Stoich.:	AB3C6D16E16 (1)
Weight, g/mol:	413.115775
ΔH_f, kcal/mol:	-24.51
Dipole, Da:	9.06
IP(EA), eV:	-9.31(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)CC1=CSC(=N1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations