Geometry & MOs

Info

ID:	314869
PubChem CID:	126623850
Reduced:	FO3N6C30H31 (1)
Stoich.:	AB3C6D30E31 (1)
Weight, g/mol:	322.029125
ΔH_f, kcal/mol:	-73.52
Dipole, Da:	8.36
IP(EA), eV:	-8.5(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)NC3=CN=CN=C3)CC(=O)N4C[C@@H](C[C@H]4C(=O)NCCCC5=CC=CC=C5)F

DOS

IR

Vibrations