Geometry & MOs

Info

ID:	195610
PubChem CID:	78711167
Reduced:	ClN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	377.086784
ΔH_f, kcal/mol:	-72.3
Dipole, Da:	3.45
IP(EA), eV:	-8.92(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C=CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations