Geometry & MOs

Info

ID:	321822
PubChem CID:	126667023
Reduced:	FO3N7C20H28 (1)
Stoich.:	AB3C7D20E28 (1)
Weight, g/mol:	327.071134
ΔH_f, kcal/mol:	-65.7
Dipole, Da:	5.4
IP(EA), eV:	-9.37(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl N-[4-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CN(CC1=CC(=CCC1N)F)C(=O)C2C3C(N=CN=C3NN2)N[C@@H]4[C@H]5C[C@H]5[C@H]([C@H]4O)O

DOS

IR

Vibrations