Geometry & MOs

Info

ID:	230163
PubChem CID:	87570334
Reduced:	NSH5C8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	391.092139
ΔH_f, kcal/mol:	122.16
Dipole, Da:	2.12
IP(EA), eV:	-8.94(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C(=C(C2=CC=C(C=C2)C#N)S)S

DOS

IR

Vibrations