Geometry & MOs

Info

ID:	440270
PubChem CID:	135230201
Reduced:	ClSF2O2N6H17C25 (1)
Stoich.:	ABC2D2E6F17G25 (1)
Weight, g/mol:	246.103814
ΔH_f, kcal/mol:	-21.68
Dipole, Da:	1.33
IP(EA), eV:	-9.07(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(hydroxymethyl)-2,3-dihydro-1,3-thiazol-2-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(C(=O)NC2=CC=CC(=N2)CSC3=NC4=CC=CC=C4N3C5=NC=NC=C5Cl)(F)F

DOS

IR

Vibrations