Geometry & MOs

Info

ID:	321823
PubChem CID:	126667024
Reduced:	S2N3O3C13H17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	327.071134
ΔH_f, kcal/mol:	-85.36
Dipole, Da:	4.91
IP(EA), eV:	-8.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CO)C2=CSC(=N2)NC(=O)OCC(C)C

DOS

IR

Vibrations