Geometry & MOs

Info

ID:	373775
PubChem CID:	131319975
Reduced:	SN2O3H6C10 (1)
Stoich.:	AB2C3D6E10 (1)
Weight, g/mol:	285.97755
ΔH_f, kcal/mol:	22.52
Dipole, Da:	5.09
IP(EA), eV:	-9.71(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-6-methylpyrrolo[2,1-b][1,3]thiazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1[N+](=O)[O-])C=C(S2)C#N)CO

DOS

IR

Vibrations