Geometry & MOs

Info

ID:	81112
PubChem CID:	49854364
Reduced:	FO2S2N5C18H22 (1)
Stoich.:	AB2C2D5E18F22 (1)
Weight, g/mol:	403.113667
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	2.82
IP(EA), eV:	-8.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-N-[7-(cyclopropylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(CF)C1=NC2=C(S1)CCC3=C2SC(=N3)NC(=O)N4CCC[C@H]4C(=O)N

DOS

IR

Vibrations