Geometry & MOs

Info

ID:	372180
PubChem CID:	131294194
Reduced:	ClON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	220.078268
ΔH_f, kcal/mol:	8.82
Dipole, Da:	7.71
IP(EA), eV:	-8.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-tert-butyl-2H-pyrrolo[3,2-d][1,2]thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)Cl)C(=CN2)C(C#N)O

DOS

IR

Vibrations