Geometry & MOs

Info

ID:	81203
PubChem CID:	49854460
Reduced:	SN4O5C25H26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	419.144967
ΔH_f, kcal/mol:	-73.3
Dipole, Da:	6.69
IP(EA), eV:	-9.18(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)OC(C)COC)C(=O)NC4=NC=CS4

DOS

IR

Vibrations