Geometry & MOs

Info

ID:	433645
PubChem CID:	135173785
Reduced:	BrOSN4C21H21 (1)
Stoich.:	ABCD4E21F21 (1)
Weight, g/mol:	441.127776
ΔH_f, kcal/mol:	39.7
Dipole, Da:	6.74
IP(EA), eV:	-8.32(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-(3-amino-2-chlorophenyl)-2-methylphenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)NC(=O)NC2=CC(=CC=C2)NSC3=CC(=CC=C3)Br

DOS

IR

Vibrations