Geometry & MOs

Info

ID:	209558
PubChem CID:	80687816
Reduced:	BrNSCl2O2H4C10 (1)
Stoich.:	ABCD2E2F4G10 (1)
Weight, g/mol:	310.054277
ΔH_f, kcal/mol:	-7.08
Dipole, Da:	2.86
IP(EA), eV:	-9.67(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl(propan-2-yl)amino]-4-chloro-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)OC2=NC(=C(S2)C=O)Cl)Cl

DOS

IR

Vibrations