Geometry & MOs

Info

ID:	27108
PubChem CID:	814323
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	303.080826
ΔH_f, kcal/mol:	-59.6
Dipole, Da:	2.66
IP(EA), eV:	-8.93(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-chloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)N(CC)CC(=O)NC2=NC(=C(S2)C)C

DOS

IR

Vibrations