Geometry & MOs

Info

ID:	425378
PubChem CID:	135126113
Reduced:	BrSF2N2O2H17C20 (1)
Stoich.:	ABC2D2E2F17G20 (1)
Weight, g/mol:	224.061949
ΔH_f, kcal/mol:	-87.42
Dipole, Da:	4.23
IP(EA), eV:	-9.51(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-amino-5-ethynyl-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H](OC[C@]2(N=C(S1)NC(=O)C3=CC=CC=C3)C4=C(C=CC(=C4)Br)F)CF

DOS

IR

Vibrations