Geometry & MOs

Info

ID:	81107
PubChem CID:	49854359
Reduced:	SN4O4C26H26 (1)
Stoich.:	AB4C4D26E26 (1)
Weight, g/mol:	405.129317
ΔH_f, kcal/mol:	-39.84
Dipole, Da:	7.16
IP(EA), eV:	-9.26(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC=C(C=C2)OC3=CC(=CC(=C3)OCC4CCCCC4)C(=O)NC5=NC=CS5

DOS

IR

Vibrations