Geometry & MOs

Info

ID:	36519
PubChem CID:	8007889
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	377.100954
ΔH_f, kcal/mol:	-12.93
Dipole, Da:	5.97
IP(EA), eV:	-8.47(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@@]2(CSC(=NC3=CN=CC=C3)N2C4CC4)O

DOS

IR

Vibrations