Geometry & MOs

Info

ID:	70143
PubChem CID:	47208125
Reduced:	ClSN2O3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	313.065176
ΔH_f, kcal/mol:	-89.69
Dipole, Da:	3.74
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1-methylimidazol-2-yl)methyl 4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)CSCC#N)Cl

DOS

IR

Vibrations