Geometry & MOs

Info

ID:	157890
PubChem CID:	56458800
Reduced:	FSO2N4C25H25 (1)
Stoich.:	ABC2D4E25F25 (1)
Weight, g/mol:	425.188546
ΔH_f, kcal/mol:	-41.82
Dipole, Da:	6.69
IP(EA), eV:	-8.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-(1-pyrimidin-2-ylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CSCN2C(=O)C3=NN(C4=C3CCC4)C5=CC=CC=C5F)C

DOS

IR

Vibrations